2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid

C13H15ClN2O3 — CID 61161284

IUPAC2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)[C@@H]1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-5-10(6-4-9)16(8-12(17)18)13(19)11-2-1-7-15-11/h3-6,11,15H,1-2,7-8H2,(H,17,18)/t11-/m0/s1
InChIKeyTXCQHDRLDZNPJN-NSHDSACASA-N
MW282.73 g/mol
LogP1.51
Rot. Bonds4

About 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid

2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid (PubChem CID 61161284) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
PubChem CID61161284
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)[C@@H]1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-5-10(6-4-9)16(8-12(17)18)13(19)11-2-1-7-15-11/h3-6,11,15H,1-2,7-8H2,(H,17,18)/t11-/m0/s1
InChIKeyTXCQHDRLDZNPJN-NSHDSACASA-N
XLogP1.51
TPSA69.64 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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
2-(4-chloro-N-(5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
CID 83191993
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
CID 28765585
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
2-[4-chloro-N-(1,4-dioxane-2-carbonyl)anilino]acetic acid
CID 60827167
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid (CID 61161284) is 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid is O=C(O)CN(C(=O)[C@@H]1CCCN1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
The InChIKey is TXCQHDRLDZNPJN-NSHDSACASA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-9-3-5-10(6-4-9)16(8-12(17)18)13(19)11-2-1-7-15-11/h3-6,11,15H,1-2,7-8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid has a molecular weight of 282.73 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid is sourced from PubChem (CID 61161284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).