N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide

C13H23N3O2 — CID 81486792

IUPACN-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCC(NC(=O)C1CNC(=O)C1)C1CCCCC1
InChIInChI=1S/C13H23N3O2/c14-7-11(9-4-2-1-3-5-9)16-13(18)10-6-12(17)15-8-10/h9-11H,1-8,14H2,(H,15,17)(H,16,18)
InChIKeyOEXKZTGKWOHOGF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.15
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 81486792) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID81486792
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCC(NC(=O)C1CNC(=O)C1)C1CCCCC1
InChIInChI=1S/C13H23N3O2/c14-7-11(9-4-2-1-3-5-9)16-13(18)10-6-12(17)15-8-10/h9-11H,1-8,14H2,(H,15,17)(H,16,18)
InChIKeyOEXKZTGKWOHOGF-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide 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

N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
N-(2-amino-1-cyclopentylethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106737463
N-(2-amino-1-cyclohexylethyl)-1-methylpiperidine-4-carboxamide
CID 119591982
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 115309214
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
N-(2-amino-1-cyclohexylethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119590398
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide (CID 81486792) is N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide is NCC(NC(=O)C1CNC(=O)C1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OEXKZTGKWOHOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-7-11(9-4-2-1-3-5-9)16-13(18)10-6-12(17)15-8-10/h9-11H,1-8,14H2,(H,15,17)(H,16,18).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 81486792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).