2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid

C13H16N2O3 — CID 50969463

IUPAC2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
SMILESO=C(O)CNc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-14-11-6-2-1-5-10(11)13(18)15-7-3-4-8-15/h1-2,5-6,14H,3-4,7-9H2,(H,16,17)
InChIKeyBVZLQYSSKWPSCT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.42
Rot. Bonds4

About 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid

2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid (PubChem CID 50969463) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
PubChem CID50969463
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
SMILESO=C(O)CNc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-14-11-6-2-1-5-10(11)13(18)15-7-3-4-8-15/h1-2,5-6,14H,3-4,7-9H2,(H,16,17)
InChIKeyBVZLQYSSKWPSCT-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(pyrrolidine-1-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-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
2-[2-[(1R,5R)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl]anilino]acetic acid
CID 98365268
4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122074814
2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile
CID 47121471
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 112800932

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid?
The IUPAC name of 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid (CID 50969463) is 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid?
The canonical SMILES for 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid is O=C(O)CNc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid?
The InChIKey is BVZLQYSSKWPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)9-14-11-6-2-1-5-10(11)13(18)15-7-3-4-8-15/h1-2,5-6,14H,3-4,7-9H2,(H,16,17).
What are the key properties of 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid?
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid is sourced from PubChem (CID 50969463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).