2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid

C13H16N2O3 — CID 62534786

IUPAC2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C13H16N2O3/c16-12(17)8-9-4-1-2-5-10(9)15-13(18)11-6-3-7-14-11/h1-2,4-5,11,14H,3,6-8H2,(H,15,18)(H,16,17)
InChIKeyGAOPLHIMYOAJPD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.00
Rot. Bonds4

About 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid

2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid (PubChem CID 62534786) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
PubChem CID62534786
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C13H16N2O3/c16-12(17)8-9-4-1-2-5-10(9)15-13(18)11-6-3-7-14-11/h1-2,4-5,11,14H,3,6-8H2,(H,15,18)(H,16,17)
InChIKeyGAOPLHIMYOAJPD-UHFFFAOYSA-N
XLogP1.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid (CID 62534786) is 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)C1CCCN1.
What is the InChIKey of 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid?
The InChIKey is GAOPLHIMYOAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)8-9-4-1-2-5-10(9)15-13(18)11-6-3-7-14-11/h1-2,4-5,11,14H,3,6-8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid?
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 62534786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).