2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid

C13H16N2O4 — CID 62941390

IUPAC2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H16N2O4/c16-11-5-6-15(8-11)13(19)14-10-3-1-9(2-4-10)7-12(17)18/h1-4,11,16H,5-8H2,(H,14,19)(H,17,18)
InChIKeyBPMWMFRLVWOGNX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.91
Rot. Bonds3

About 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid

2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 62941390) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID62941390
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H16N2O4/c16-11-5-6-15(8-11)13(19)14-10-3-1-9(2-4-10)7-12(17)18/h1-4,11,16H,5-8H2,(H,14,19)(H,17,18)
InChIKeyBPMWMFRLVWOGNX-UHFFFAOYSA-N
XLogP0.91
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
CID 111431591
3-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 75502898
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid (CID 62941390) is 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is BPMWMFRLVWOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-5-6-15(8-11)13(19)14-10-3-1-9(2-4-10)7-12(17)18/h1-4,11,16H,5-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid?
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62941390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).