CAS
96310-85-9 Purity
96%
96310-85-9 Purity
96%
![(2S,4R)-4-[[(4-Methylphenyl)sulfonyl]oxy]-1,2-pyrrolidinedicarboxylic acid 1-(tert-butyl)ester](https://resource.alfa-chemistry.com/structure/96314-28-2.gif)
Inquiry Basket
1,2-Pyrrolidinedicarboxylicacid,4-phenyl-,1-(1,1-dimethylethyl)ester,(2S,4S)-
CAS
96314-29-3
Catalog Number
ACM96314293
Category
Other Products
Molecular Weight
291.34
Molecular Formula
C16H21NO4
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
(2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid, 96314-29-3, AC1MBSIS, (2S,4S)-Boc-4-phenyl-pyrrolidine-2-carboxylic acid, SureCN2239296, CTK7G2479, ANW-40804, AKOS015836490, AKOS015893123, AG-B-16303, AG-H-95185, AK115304, KB-206823, FT-0679860, B-1648, I04-1919, Boc-(2S,4S)-4-phenyl-pyrrolidine-2-carboxylic acid, (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
IUPAC Name
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
Canonical SMILES
CC(C)(C)OC(=O)N1CC(CC1C(=O)O)C2=CC=CC=C2
InChI Key
JDAQDIQHICLYKH-OLZOCXBDSA-N
Boiling Point
441.5ºC at 760 mmHg
Flash Point
220.8ºC
Density
1.196g/cm³
Exact Mass
291.14700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 1,2-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl)ester, (2S,4S)?
The molecular formula is C16H21NO4.
When was the compound created and modified?
The compound was created on 2005-07-19 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1.
What is the InChIKey of the compound?
The InChIKey is JDAQDIQHICLYKH-OLZOCXBDSA-N.
What is the molecular weight of the compound?
The molecular weight is 291.34 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 66.8 Ų.
How many defined atom stereocenter counts does the compound have?
The compound has 2 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
![(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-17-[2-(N-methylanilino)-1,3-thiazol-4-yl]-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione](https://resource.alfa-chemistry.com/structure/96310-85-9.gif)
