(3-amino-2-methylpentan-2-yl) acetate

C8H17NO2 — CID 174797073

IUPAC(3-amino-2-methylpentan-2-yl) acetate
SMILESCCC(N)C(C)(C)OC(C)=O
InChIInChI=1S/C8H17NO2/c1-5-7(9)8(3,4)11-6(2)10/h7H,5,9H2,1-4H3
InChIKeyPYNDVKBYQKFQMF-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds3

About (3-amino-2-methylpentan-2-yl) acetate

(3-amino-2-methylpentan-2-yl) acetate (PubChem CID 174797073) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3-amino-2-methylpentan-2-yl) acetate.

Molecular Properties

Compound Name(3-amino-2-methylpentan-2-yl) acetate
PubChem CID174797073
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3-amino-2-methylpentan-2-yl) acetate
SMILESCCC(N)C(C)(C)OC(C)=O
InChIInChI=1S/C8H17NO2/c1-5-7(9)8(3,4)11-6(2)10/h7H,5,9H2,1-4H3
InChIKeyPYNDVKBYQKFQMF-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-methylpentan-2-yl) 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 (3-amino-2-methylpentan-2-yl) acetate?
The IUPAC name of (3-amino-2-methylpentan-2-yl) acetate (CID 174797073) is (3-amino-2-methylpentan-2-yl) acetate.
What is the SMILES notation for (3-amino-2-methylpentan-2-yl) acetate?
The canonical SMILES for (3-amino-2-methylpentan-2-yl) acetate is CCC(N)C(C)(C)OC(C)=O.
What is the InChIKey of (3-amino-2-methylpentan-2-yl) acetate?
The InChIKey is PYNDVKBYQKFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-7(9)8(3,4)11-6(2)10/h7H,5,9H2,1-4H3.
What are the key properties of (3-amino-2-methylpentan-2-yl) acetate?
(3-amino-2-methylpentan-2-yl) acetate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylpentan-2-yl) acetate is sourced from PubChem (CID 174797073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).