(1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate

• CAS: 1159609-95-6
• Catalog Number: ACM1159609956
• Category: Other Products
• Molecular Weight: 327.39594
• Molecular Formula: C₁₅H₂₁NO₅S
• Synonyms: (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate;Cyclopropanecarboxylic acid, 1-aMino-2-ethenyl-, ethyl ester, (1R,2S)-, 4-Methylbenzenesulfonate (1:1);(1R,2S)-1-aMino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester tosylate
• Melting Point: 136-138°C

Custom Q&A

What is the molecular formula of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The molecular formula is C15H21NO5S.

What are the synonyms of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The synonyms are:
(1R,2S)-ethyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate
Ethyl (1R,2S)-1-amino-2-vinylcyclopropane-1-carboxylate 4-methylbenzenesulfonate
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-, 4-methylbenzenesulfonate

What is the molecular weight of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The molecular weight is 327.4 g/mol.

What is the IUPAC name of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The IUPAC name is ethyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;4-methylbenzenesulfonic acid.

What is the InChI of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The InChI is InChI=1S/C8H13NO2.C7H8O3S/c1-3-6-5-8(6,9)7(10)11-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,6H,1,4-5,9H2,2H3;2-5H,1H3,(H,8,9,10)/t6-,8-;/m1./s1.

What is the InChIKey of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The InChIKey is ZVRWDUOPDWVUNQ-CIRBGYJCSA-N.

What is the canonical SMILES of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The canonical SMILES is CCOC(=O)C1(CC1C=C)N.CC1=CC=C(C=C1)S(=O)(=O)O.

What are the computed properties of (1R,2S)-1-Amino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester 4-methylbenzenesulfonate?

The computed properties are:
Molecular Weight: 327.4 g/mol
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 6
Rotatable Bond Count: 5
Exact Mass: 327.11404394 g/mol
Monoisotopic Mass: 327.11404394 g/mol
Topological Polar Surface Area: 115 Å2
Heavy Atom Count: 22
Formal Charge: 0
Complexity: 397
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 2
Compound Is Canonicalized: Yes

When was the reference created?

The reference was created on July 26, 2010.

When was the reference last modified?

The reference was last modified on December 30, 2023.