4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid

C19H19N3O4 — CID 85050210

IUPAC4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid
SMILESN#Cc1ccc(N2CCC(N)C2=O)cc1.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C11H11N3O.C8H8O3/c12-7-8-1-3-9(4-2-8)14-6-5-10(13)11(14)15;9-7(8(10)11)6-4-2-1-3-5-6/h1-4,10H,5-6,13H2;1-5,7,9H,(H,10,11)
InChIKeyPIHWDPHJIADGJF-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.43
Rot. Bonds3

About 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid

4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid (PubChem CID 85050210) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Name4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid
PubChem CID85050210
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid
SMILESN#Cc1ccc(N2CCC(N)C2=O)cc1.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C11H11N3O.C8H8O3/c12-7-8-1-3-9(4-2-8)14-6-5-10(13)11(14)15;9-7(8(10)11)6-4-2-1-3-5-6/h1-4,10H,5-6,13H2;1-5,7,9H,(H,10,11)
InChIKeyPIHWDPHJIADGJF-UHFFFAOYSA-N
XLogP1.43
TPSA127.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 19697197
N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
CID 123989700
(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
CID 67741603
4-[(1S)-1-hydroxy-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]ethyl]benzonitrile
CID 124725716
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
3-amino-1-phenylazepan-2-one
CID 59657864
(2S)-3-[[2-[(3S)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 139699976
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
3-amino-1-[3-(2-phenylethynyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 135387305
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid?
The IUPAC name of 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid (CID 85050210) is 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid?
The canonical SMILES for 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid is N#Cc1ccc(N2CCC(N)C2=O)cc1.O=C(O)C(O)c1ccccc1.
What is the InChIKey of 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid?
The InChIKey is PIHWDPHJIADGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C8H8O3/c12-7-8-1-3-9(4-2-8)14-6-5-10(13)11(14)15;9-7(8(10)11)6-4-2-1-3-5-6/h1-4,10H,5-6,13H2;1-5,7,9H,(H,10,11).
What are the key properties of 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid?
4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid has a molecular weight of 353.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 85050210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).