2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid

C13H14N2O4 — CID 103803780

IUPAC2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C13H14N2O4/c16-11-5-4-10(15-11)13(19)14-9-3-1-2-8(6-9)7-12(17)18/h1-3,6,10H,4-5,7H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyBKATYAAGIGUBGD-SNVBAGLBSA-N
MW262.26 g/mol
LogP0.53
Rot. Bonds4

About 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid

2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid (PubChem CID 103803780) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
PubChem CID103803780
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C13H14N2O4/c16-11-5-4-10(15-11)13(19)14-9-3-1-2-8(6-9)7-12(17)18/h1-3,6,10H,4-5,7H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyBKATYAAGIGUBGD-SNVBAGLBSA-N
XLogP0.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
3-[3-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 76907392
N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110793299
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119351907
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 75482501

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid (CID 103803780) is 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)[C@H]2CCC(=O)N2)c1.
What is the InChIKey of 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
The InChIKey is BKATYAAGIGUBGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-5-4-10(15-11)13(19)14-9-3-1-2-8(6-9)7-12(17)18/h1-3,6,10H,4-5,7H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 103803780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).