tert-butyl 2-amino-2-cyclohexylpropanoate

C13H25NO2 — CID 151841051

IUPACtert-butyl 2-amino-2-cyclohexylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(N)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)16-11(15)13(4,14)10-8-6-5-7-9-10/h10H,5-9,14H2,1-4H3
InChIKeySGQWEXWRKWEFEI-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl 2-amino-2-cyclohexylpropanoate

tert-butyl 2-amino-2-cyclohexylpropanoate (PubChem CID 151841051) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-amino-2-cyclohexylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-cyclohexylpropanoate
PubChem CID151841051
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-amino-2-cyclohexylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(N)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)16-11(15)13(4,14)10-8-6-5-7-9-10/h10H,5-9,14H2,1-4H3
InChIKeySGQWEXWRKWEFEI-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-amino-2-cyclohexylpropanoate 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

Methyl 1-aminocyclohexanoate
CID 4048819
Ethyl 1-aminocyclohexanecarboxylate
CID 222863
Ethyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 11241228
Methyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 22645079
Tert-butyl 2-amino-2-cyclohexylacetate
CID 61016976
Ethyl 2-amino-2-ethyloctanoate
CID 42614433
Ethyl 2-amino-2-methyloctanoate
CID 50987895
Tert-butyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 132343988
tert-butyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride
CID 137346851
Tert-butyl 2-amino-3-cyclohexylpropanoate hydrochloride
CID 137698665
tert-butyl (2R)-2-amino-3-cyclohexylpropanoate hydrochloride
CID 137964212
(2R)-2-amino-2-cyclohexylpropanoic acid
CID 11240741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-cyclohexylpropanoate?
The IUPAC name of tert-butyl 2-amino-2-cyclohexylpropanoate (CID 151841051) is tert-butyl 2-amino-2-cyclohexylpropanoate.
What is the SMILES notation for tert-butyl 2-amino-2-cyclohexylpropanoate?
The canonical SMILES for tert-butyl 2-amino-2-cyclohexylpropanoate is CC(C)(C)OC(=O)C(C)(N)C1CCCCC1.
What is the InChIKey of tert-butyl 2-amino-2-cyclohexylpropanoate?
The InChIKey is SGQWEXWRKWEFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)16-11(15)13(4,14)10-8-6-5-7-9-10/h10H,5-9,14H2,1-4H3.
What are the key properties of tert-butyl 2-amino-2-cyclohexylpropanoate?
tert-butyl 2-amino-2-cyclohexylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-cyclohexylpropanoate is sourced from PubChem (CID 151841051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).