methyl 2-(cyclohexylcarbamoylamino)acetate

C10H18N2O3 — CID 11053022

IUPACmethyl 2-(cyclohexylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-15-9(13)7-11-10(14)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyWTUYYGHSAYHMNG-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds3

About methyl 2-(cyclohexylcarbamoylamino)acetate

methyl 2-(cyclohexylcarbamoylamino)acetate (PubChem CID 11053022) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-(cyclohexylcarbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylcarbamoylamino)acetate
PubChem CID11053022
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 2-(cyclohexylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-15-9(13)7-11-10(14)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyWTUYYGHSAYHMNG-UHFFFAOYSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-(cyclohexylcarbamoylamino)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylcarbamoylamino)acetate?
The IUPAC name of methyl 2-(cyclohexylcarbamoylamino)acetate (CID 11053022) is methyl 2-(cyclohexylcarbamoylamino)acetate.
What is the SMILES notation for methyl 2-(cyclohexylcarbamoylamino)acetate?
The canonical SMILES for methyl 2-(cyclohexylcarbamoylamino)acetate is COC(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexylcarbamoylamino)acetate?
The InChIKey is WTUYYGHSAYHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-15-9(13)7-11-10(14)12-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of methyl 2-(cyclohexylcarbamoylamino)acetate?
methyl 2-(cyclohexylcarbamoylamino)acetate has a molecular weight of 214.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylcarbamoylamino)acetate is sourced from PubChem (CID 11053022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).