methyl 4-amino-3-cyclohexylbutanoate

C11H21NO2 — CID 66098715

IUPACmethyl 4-amino-3-cyclohexylbutanoate
SMILESCOC(=O)CC(CN)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3
InChIKeyZQLIZGAAFBTAMO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds4

About methyl 4-amino-3-cyclohexylbutanoate

methyl 4-amino-3-cyclohexylbutanoate (PubChem CID 66098715) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-amino-3-cyclohexylbutanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-cyclohexylbutanoate
PubChem CID66098715
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-amino-3-cyclohexylbutanoate
SMILESCOC(=O)CC(CN)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3
InChIKeyZQLIZGAAFBTAMO-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-amino-3-cyclohexylbutanoate 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 4-amino-3-cyclohexylbutanoate?
The IUPAC name of methyl 4-amino-3-cyclohexylbutanoate (CID 66098715) is methyl 4-amino-3-cyclohexylbutanoate.
What is the SMILES notation for methyl 4-amino-3-cyclohexylbutanoate?
The canonical SMILES for methyl 4-amino-3-cyclohexylbutanoate is COC(=O)CC(CN)C1CCCCC1.
What is the InChIKey of methyl 4-amino-3-cyclohexylbutanoate?
The InChIKey is ZQLIZGAAFBTAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3.
What are the key properties of methyl 4-amino-3-cyclohexylbutanoate?
methyl 4-amino-3-cyclohexylbutanoate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-cyclohexylbutanoate is sourced from PubChem (CID 66098715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).