methyl 2-(4-aminocyclohexyl)acetate

C9H17NO2 — CID 4190459

IUPACmethyl 2-(4-aminocyclohexyl)acetate
SMILESCOC(=O)CC1CCC(N)CC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7-8H,2-6,10H2,1H3
InChIKeyXWSOUSNMNNHZMD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-(4-aminocyclohexyl)acetate

methyl 2-(4-aminocyclohexyl)acetate (PubChem CID 4190459) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(4-aminocyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-aminocyclohexyl)acetate
PubChem CID4190459
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(4-aminocyclohexyl)acetate
SMILESCOC(=O)CC1CCC(N)CC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7-8H,2-6,10H2,1H3
InChIKeyXWSOUSNMNNHZMD-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-aminocyclohexyl)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-(4-aminocyclohexyl)acetate?
The IUPAC name of methyl 2-(4-aminocyclohexyl)acetate (CID 4190459) is methyl 2-(4-aminocyclohexyl)acetate.
What is the SMILES notation for methyl 2-(4-aminocyclohexyl)acetate?
The canonical SMILES for methyl 2-(4-aminocyclohexyl)acetate is COC(=O)CC1CCC(N)CC1.
What is the InChIKey of methyl 2-(4-aminocyclohexyl)acetate?
The InChIKey is XWSOUSNMNNHZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7-8H,2-6,10H2,1H3.
What are the key properties of methyl 2-(4-aminocyclohexyl)acetate?
methyl 2-(4-aminocyclohexyl)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminocyclohexyl)acetate is sourced from PubChem (CID 4190459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).