4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

C12H21N3O2 — CID 106197968

IUPAC4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NC2CNC(=O)C2)CCC1N
InChIInChI=1S/C12H21N3O2/c1-7-4-8(2-3-10(7)13)12(17)15-9-5-11(16)14-6-9/h7-10H,2-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyBJYVSYBYQJPXGS-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.25
Rot. Bonds2

About 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 106197968) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID106197968
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NC2CNC(=O)C2)CCC1N
InChIInChI=1S/C12H21N3O2/c1-7-4-8(2-3-10(7)13)12(17)15-9-5-11(16)14-6-9/h7-10H,2-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyBJYVSYBYQJPXGS-UHFFFAOYSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
4-amino-N-(3,5-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64733535
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197966
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
4-amino-3-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 62783524
N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78998864
5-amino-2,4-dimethyl-N-(6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 102706749
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 106197968) is 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide is CC1CC(C(=O)NC2CNC(=O)C2)CCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is BJYVSYBYQJPXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7-4-8(2-3-10(7)13)12(17)15-9-5-11(16)14-6-9/h7-10H,2-6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106197968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).