1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea

C13H24N4O2 — CID 119412871

IUPAC1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
SMILESN[C@@H]1CCN(C(=O)CNC(=O)NC2CCCCC2)C1
InChIInChI=1S/C13H24N4O2/c14-10-6-7-17(9-10)12(18)8-15-13(19)16-11-4-2-1-3-5-11/h10-11H,1-9,14H2,(H2,15,16,19)/t10-/m1/s1
InChIKeyJGMSRUQEGJQSKT-SNVBAGLBSA-N
MW268.36 g/mol
LogP0.18
Rot. Bonds3

About 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea

1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea (PubChem CID 119412871) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
PubChem CID119412871
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
SMILESN[C@@H]1CCN(C(=O)CNC(=O)NC2CCCCC2)C1
InChIInChI=1S/C13H24N4O2/c14-10-6-7-17(9-10)12(18)8-15-13(19)16-11-4-2-1-3-5-11/h10-11H,1-9,14H2,(H2,15,16,19)/t10-/m1/s1
InChIKeyJGMSRUQEGJQSKT-SNVBAGLBSA-N
XLogP0.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea 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

1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119354365
1-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119410465
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111
[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
CID 146225835
[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 135240082
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119378516
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 120659500
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea (CID 119412871) is 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea is N[C@@H]1CCN(C(=O)CNC(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
The InChIKey is JGMSRUQEGJQSKT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-10-6-7-17(9-10)12(18)8-15-13(19)16-11-4-2-1-3-5-11/h10-11H,1-9,14H2,(H2,15,16,19)/t10-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea has a molecular weight of 268.36 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea is sourced from PubChem (CID 119412871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).