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

C13H16N2O3 — CID 61160891

IUPAC2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-15(10-5-2-1-3-6-10)13(18)11-7-4-8-14-11/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)/t11-/m0/s1
InChIKeyOXBRCZIPICLOKQ-NSHDSACASA-N
MW248.28 g/mol
LogP0.86
Rot. Bonds4

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

2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid (PubChem CID 61160891) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
PubChem CID61160891
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-15(10-5-2-1-3-6-10)13(18)11-7-4-8-14-11/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)/t11-/m0/s1
InChIKeyOXBRCZIPICLOKQ-NSHDSACASA-N
XLogP0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N-butyl-N-phenylpiperidine-2-carboxamide
CID 64587130
(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
CID 104914056
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
2-(N-[(1S,2R)-2-sulfanylcyclohexanecarbonyl]anilino)acetic acid
CID 20642356
2-[cyclopentyl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159569
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
The IUPAC name of 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid (CID 61160891) is 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid is O=C(O)CN(C(=O)[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
The InChIKey is OXBRCZIPICLOKQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)9-15(10-5-2-1-3-6-10)13(18)11-7-4-8-14-11/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid?
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid is sourced from PubChem (CID 61160891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).