(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid

C13H15ClN2O3 — CID 168698995

IUPAC(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
SMILESNC1CC(=O)N([C@@H](Cc2ccc(Cl)cc2)C(=O)O)C1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-1-8(2-4-9)5-11(13(18)19)16-7-10(15)6-12(16)17/h1-4,10-11H,5-7,15H2,(H,18,19)/t10?,11-/m0/s1
InChIKeyYTEGXUARCJJNQI-DTIOYNMSSA-N
MW282.73 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid

(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid (PubChem CID 168698995) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
PubChem CID168698995
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
SMILESNC1CC(=O)N([C@@H](Cc2ccc(Cl)cc2)C(=O)O)C1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-1-8(2-4-9)5-11(13(18)19)16-7-10(15)6-12(16)17/h1-4,10-11H,5-7,15H2,(H,18,19)/t10?,11-/m0/s1
InChIKeyYTEGXUARCJJNQI-DTIOYNMSSA-N
XLogP0.90
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)propanoic acid
CID 168701665
3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674932
(2S)-3-(4-chlorophenyl)-2-(4-ethynyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168500176
3-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713336
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 168659021
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168699011
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-3-(4-iodophenyl)propanoic acid
CID 168503431
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168698989
3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674933
(2S)-3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675004
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-iodophenyl)propanoic acid
CID 168695921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid?
The IUPAC name of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid (CID 168698995) is (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid is NC1CC(=O)N([C@@H](Cc2ccc(Cl)cc2)C(=O)O)C1.
What is the InChIKey of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid?
The InChIKey is YTEGXUARCJJNQI-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-9-3-1-8(2-4-9)5-11(13(18)19)16-7-10(15)6-12(16)17/h1-4,10-11H,5-7,15H2,(H,18,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid?
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid has a molecular weight of 282.73 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 168698995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).