(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid

C12H10N2O3 — CID 30121276

IUPAC(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESN#Cc1cccc(N2C[C@H](C(=O)O)CC2=O)c1
InChIInChI=1S/C12H10N2O3/c13-6-8-2-1-3-10(4-8)14-7-9(12(16)17)5-11(14)15/h1-4,9H,5,7H2,(H,16,17)/t9-/m1/s1
InChIKeyQWHRSJVKOXPCDV-SECBINFHSA-N
MW230.22 g/mol
LogP1.00
Rot. Bonds2

About (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 30121276) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID30121276
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESN#Cc1cccc(N2C[C@H](C(=O)O)CC2=O)c1
InChIInChI=1S/C12H10N2O3/c13-6-8-2-1-3-10(4-8)14-7-9(12(16)17)5-11(14)15/h1-4,9H,5,7H2,(H,16,17)/t9-/m1/s1
InChIKeyQWHRSJVKOXPCDV-SECBINFHSA-N
XLogP1.00
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191969
3-(4-ethynyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168502803
N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191931
N-benzyl-1-(3-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191914
3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191911
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916
1-(5-cyano-2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691672
1-(3-cyanophenyl)-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191935
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 30121276) is (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid is N#Cc1cccc(N2C[C@H](C(=O)O)CC2=O)c1.
What is the InChIKey of (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is QWHRSJVKOXPCDV-SECBINFHSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-6-8-2-1-3-10(4-8)14-7-9(12(16)17)5-11(14)15/h1-4,9H,5,7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 30121276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).