(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid

C13H15ClN2O3 — CID 107315387

IUPAC(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)C1CCNC1
InChIInChI=1S/C13H15ClN2O3/c14-10-4-2-1-3-9(10)11(13(18)19)16-12(17)8-5-6-15-7-8/h1-4,8,11,15H,5-7H2,(H,16,17)(H,18,19)/t8?,11-/m1/s1
InChIKeyIODIHWSBFLRWAW-QHDYGNBISA-N
MW282.73 g/mol
LogP1.19
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid (PubChem CID 107315387) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
PubChem CID107315387
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1Cl)C1CCNC1
InChIInChI=1S/C13H15ClN2O3/c14-10-4-2-1-3-9(10)11(13(18)19)16-12(17)8-5-6-15-7-8/h1-4,8,11,15H,5-7H2,(H,16,17)(H,18,19)/t8?,11-/m1/s1
InChIKeyIODIHWSBFLRWAW-QHDYGNBISA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid
CID 82388192
(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid
CID 107315327
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid (CID 107315387) is (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1Cl)C1CCNC1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid?
The InChIKey is IODIHWSBFLRWAW-QHDYGNBISA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-4-2-1-3-9(10)11(13(18)19)16-12(17)8-5-6-15-7-8/h1-4,8,11,15H,5-7H2,(H,16,17)(H,18,19)/t8?,11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid has a molecular weight of 282.73 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid is sourced from PubChem (CID 107315387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).