2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid

C13H16N2O3 — CID 63007265

IUPAC2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCNC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-15(11-4-2-1-3-5-11)13(18)10-6-7-14-8-10/h1-5,10,14H,6-9H2,(H,16,17)
InChIKeyPABCNYAYMVIWDG-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.71
Rot. Bonds4

About 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid

2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid (PubChem CID 63007265) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
PubChem CID63007265
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCNC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-15(11-4-2-1-3-5-11)13(18)10-6-7-14-8-10/h1-5,10,14H,6-9H2,(H,16,17)
InChIKeyPABCNYAYMVIWDG-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119679273
2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
CID 28765585
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
CID 63005463
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
2-(N-[(1S,2R)-2-sulfanylcyclohexanecarbonyl]anilino)acetic acid
CID 20642356

Frequently Asked Questions

What is the IUPAC name of 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid?
The IUPAC name of 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid (CID 63007265) is 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid is O=C(O)CN(C(=O)C1CCNC1)c1ccccc1.
What is the InChIKey of 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid?
The InChIKey is PABCNYAYMVIWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)9-15(11-4-2-1-3-5-11)13(18)10-6-7-14-8-10/h1-5,10,14H,6-9H2,(H,16,17).
What are the key properties of 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid?
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid is sourced from PubChem (CID 63007265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).