(2-amino-4,4-dimethylcyclopentyl) acetate

C9H17NO2 — CID 174313858

IUPAC(2-amino-4,4-dimethylcyclopentyl) acetate
SMILESCC(=O)OC1CC(C)(C)CC1N
InChIInChI=1S/C9H17NO2/c1-6(11)12-8-5-9(2,3)4-7(8)10/h7-8H,4-5,10H2,1-3H3
InChIKeyJVNGOYQAGVHQSS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds1

About (2-amino-4,4-dimethylcyclopentyl) acetate

(2-amino-4,4-dimethylcyclopentyl) acetate (PubChem CID 174313858) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2-amino-4,4-dimethylcyclopentyl) acetate.

Molecular Properties

Compound Name(2-amino-4,4-dimethylcyclopentyl) acetate
PubChem CID174313858
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2-amino-4,4-dimethylcyclopentyl) acetate
SMILESCC(=O)OC1CC(C)(C)CC1N
InChIInChI=1S/C9H17NO2/c1-6(11)12-8-5-9(2,3)4-7(8)10/h7-8H,4-5,10H2,1-3H3
InChIKeyJVNGOYQAGVHQSS-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (2-amino-4,4-dimethylcyclopentyl) 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 (2-amino-4,4-dimethylcyclopentyl) acetate?
The IUPAC name of (2-amino-4,4-dimethylcyclopentyl) acetate (CID 174313858) is (2-amino-4,4-dimethylcyclopentyl) acetate.
What is the SMILES notation for (2-amino-4,4-dimethylcyclopentyl) acetate?
The canonical SMILES for (2-amino-4,4-dimethylcyclopentyl) acetate is CC(=O)OC1CC(C)(C)CC1N.
What is the InChIKey of (2-amino-4,4-dimethylcyclopentyl) acetate?
The InChIKey is JVNGOYQAGVHQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(11)12-8-5-9(2,3)4-7(8)10/h7-8H,4-5,10H2,1-3H3.
What are the key properties of (2-amino-4,4-dimethylcyclopentyl) acetate?
(2-amino-4,4-dimethylcyclopentyl) acetate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,4-dimethylcyclopentyl) acetate is sourced from PubChem (CID 174313858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).