3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid

C14H18N2O3 — CID 115339993

IUPAC3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H18N2O3/c17-13(18)8-5-10-3-6-11(7-4-10)16-14(19)12-2-1-9-15-12/h3-4,6-7,12,15H,1-2,5,8-9H2,(H,16,19)(H,17,18)
InChIKeyKKTXUVUCIACHTP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.39
Rot. Bonds5

About 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid

3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid (PubChem CID 115339993) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
PubChem CID115339993
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H18N2O3/c17-13(18)8-5-10-3-6-11(7-4-10)16-14(19)12-2-1-9-15-12/h3-4,6-7,12,15H,1-2,5,8-9H2,(H,16,19)(H,17,18)
InChIKeyKKTXUVUCIACHTP-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic 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

(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]piperidine-2-carboxamide
CID 119303603
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 146258006
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid (CID 115339993) is 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid?
The InChIKey is KKTXUVUCIACHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)8-5-10-3-6-11(7-4-10)16-14(19)12-2-1-9-15-12/h3-4,6-7,12,15H,1-2,5,8-9H2,(H,16,19)(H,17,18).
What are the key properties of 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid?
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 115339993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).