[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

C14H24N2O5 — CID 26039878

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)C1(O)CCCCC1
InChIInChI=1S/C14H24N2O5/c1-13(2,3)16-12(19)15-10(17)9-21-11(18)14(20)7-5-4-6-8-14/h20H,4-9H2,1-3H3,(H2,15,16,17,19)
InChIKeyCTYDKWQQLQCNBY-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.85
Rot. Bonds3

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 26039878) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID26039878
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)C1(O)CCCCC1
InChIInChI=1S/C14H24N2O5/c1-13(2,3)16-12(19)15-10(17)9-21-11(18)14(20)7-5-4-6-8-14/h20H,4-9H2,1-3H3,(H2,15,16,17,19)
InChIKeyCTYDKWQQLQCNBY-UHFFFAOYSA-N
XLogP0.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate 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 [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (CID 26039878) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is CC(C)(C)NC(=O)NC(=O)COC(=O)C1(O)CCCCC1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is CTYDKWQQLQCNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-13(2,3)16-12(19)15-10(17)9-21-11(18)14(20)7-5-4-6-8-14/h20H,4-9H2,1-3H3,(H2,15,16,17,19).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 26039878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).