(cyclohexylcarbamoylamino) propanoate

C10H18N2O3 — CID 57029614

IUPAC(cyclohexylcarbamoylamino) propanoate
SMILESCCC(=O)ONC(=O)NC1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-2-9(13)15-12-10(14)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyCILTXYHAAFIUEV-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.49
Rot. Bonds2

About (cyclohexylcarbamoylamino) propanoate

(cyclohexylcarbamoylamino) propanoate (PubChem CID 57029614) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (cyclohexylcarbamoylamino) propanoate.

Molecular Properties

Compound Name(cyclohexylcarbamoylamino) propanoate
PubChem CID57029614
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(cyclohexylcarbamoylamino) propanoate
SMILESCCC(=O)ONC(=O)NC1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-2-9(13)15-12-10(14)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyCILTXYHAAFIUEV-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (cyclohexylcarbamoylamino) propanoate 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-cycloheptyl-3-methoxyurea
CID 126986046
1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
2-(cyclohexylcarbamoylamino)oxyacetamide
CID 112549830
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
potassium;N-cyclohexylpropanamide;hydride
CID 173020790

Frequently Asked Questions

What is the IUPAC name of (cyclohexylcarbamoylamino) propanoate?
The IUPAC name of (cyclohexylcarbamoylamino) propanoate (CID 57029614) is (cyclohexylcarbamoylamino) propanoate.
What is the SMILES notation for (cyclohexylcarbamoylamino) propanoate?
The canonical SMILES for (cyclohexylcarbamoylamino) propanoate is CCC(=O)ONC(=O)NC1CCCCC1.
What is the InChIKey of (cyclohexylcarbamoylamino) propanoate?
The InChIKey is CILTXYHAAFIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-9(13)15-12-10(14)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of (cyclohexylcarbamoylamino) propanoate?
(cyclohexylcarbamoylamino) propanoate has a molecular weight of 214.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylcarbamoylamino) propanoate is sourced from PubChem (CID 57029614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).