tert-butyl 2-(cyclohexylcarbamoylamino)acetate

C13H24N2O3 — CID 11832044

IUPACtert-butyl 2-(cyclohexylcarbamoylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-11(16)9-14-12(17)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15,17)
InChIKeyPHDMZXJEOZGIES-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl 2-(cyclohexylcarbamoylamino)acetate

tert-butyl 2-(cyclohexylcarbamoylamino)acetate (PubChem CID 11832044) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 2-(cyclohexylcarbamoylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(cyclohexylcarbamoylamino)acetate
PubChem CID11832044
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 2-(cyclohexylcarbamoylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-11(16)9-14-12(17)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15,17)
InChIKeyPHDMZXJEOZGIES-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 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 tert-butyl 2-(cyclohexylcarbamoylamino)acetate?
The IUPAC name of tert-butyl 2-(cyclohexylcarbamoylamino)acetate (CID 11832044) is tert-butyl 2-(cyclohexylcarbamoylamino)acetate.
What is the SMILES notation for tert-butyl 2-(cyclohexylcarbamoylamino)acetate?
The canonical SMILES for tert-butyl 2-(cyclohexylcarbamoylamino)acetate is CC(C)(C)OC(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of tert-butyl 2-(cyclohexylcarbamoylamino)acetate?
The InChIKey is PHDMZXJEOZGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-11(16)9-14-12(17)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15,17).
What are the key properties of tert-butyl 2-(cyclohexylcarbamoylamino)acetate?
tert-butyl 2-(cyclohexylcarbamoylamino)acetate has a molecular weight of 256.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclohexylcarbamoylamino)acetate is sourced from PubChem (CID 11832044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).