CAS
93709-61-6 Purity
98 atom % D
93709-61-6 Purity
98 atom % D
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(2S)-2-[(3,4,5-Trimethoxybenzoyl)amino]propanoic acid
CAS
93709-67-2
Catalog Number
ACM93709672
Category
Other Products
Molecular Weight
282.269240 [g/mol]
Molecular Formula
C13H17NO6
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Specification
Synonyms
ZINC00078391, ZINC03681327, CID6923199, 93709-67-2
IUPAC Name
(2R)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
InChI Key
LYDVPBQLBMIUQN-SSDOTTSWSA-M
Boiling Point
422.0±45.0 °C (760 mmHg)
Density
1.232±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
283.10600
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C13H17NO6.
What are the synonyms of the compound?
The synonyms of the compound include:
93709-67-2
(2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
L-Alanine,N-(3,4,5-trimethoxybenzoyl)-
(2S)-2-[(3,4,5-trimethoxyphenyl)formamido]propanoic acid
N-(3,4,5-trimethoxybenzoyl)alanine
What is the molecular weight of the compound?
The molecular weight of the compound is 283.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (2S)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H17NO6/c1-7(13(16)17)14-12(15)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-7H,1-4H3,(H,14,15)(H,16,17)/t7-/m0/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is LYDVPBQLBMIUQN-ZETCQYMHSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is C[C@@H](C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.1.
How many hydrogen bond donor and acceptor counts does the compound have?
The compound has 2 hydrogen bond donor counts and 6 hydrogen bond acceptor counts.
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93709-68-3 Purity
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93713-26-9 Purity
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937-13-3 Purity
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937-13-3 Purity
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