2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid

C14H22N2O4 — CID 61015031

IUPAC2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
SMILESCN1CC(C(=O)NC(C(=O)O)C2CCCCC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-16-8-10(7-11(16)17)13(18)15-12(14(19)20)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyNKYNWMJGNMDQOH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.61
Rot. Bonds4

About 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 61015031) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID61015031
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
SMILESCN1CC(C(=O)NC(C(=O)O)C2CCCCC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-16-8-10(7-11(16)17)13(18)15-12(14(19)20)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyNKYNWMJGNMDQOH-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 104965003
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 62519112
(3R)-1-methyl-5-oxo-N-(4-propan-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
CID 97240549
tert-butyl 2-cyclohexyl-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]acetate
CID 166332241
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
2-cyclopropyl-2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 120686705
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid (CID 61015031) is 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid is CN1CC(C(=O)NC(C(=O)O)C2CCCCC2)CC1=O.
What is the InChIKey of 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is NKYNWMJGNMDQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16-8-10(7-11(16)17)13(18)15-12(14(19)20)9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 61015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).