methyl 5-amino-2,2-diethylpentanoate

C10H21NO2 — CID 18784900

IUPACmethyl 5-amino-2,2-diethylpentanoate
SMILESCCC(CC)(CCCN)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-10(5-2,7-6-8-11)9(12)13-3/h4-8,11H2,1-3H3
InChIKeyCEJMOPOQYLDSNW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds6

About methyl 5-amino-2,2-diethylpentanoate

methyl 5-amino-2,2-diethylpentanoate (PubChem CID 18784900) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 5-amino-2,2-diethylpentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2,2-diethylpentanoate
PubChem CID18784900
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 5-amino-2,2-diethylpentanoate
SMILESCCC(CC)(CCCN)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-10(5-2,7-6-8-11)9(12)13-3/h4-8,11H2,1-3H3
InChIKeyCEJMOPOQYLDSNW-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-amino-2,2-diethylpentanoate 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 5-amino-2,2-diethylpentanoate?
The IUPAC name of methyl 5-amino-2,2-diethylpentanoate (CID 18784900) is methyl 5-amino-2,2-diethylpentanoate.
What is the SMILES notation for methyl 5-amino-2,2-diethylpentanoate?
The canonical SMILES for methyl 5-amino-2,2-diethylpentanoate is CCC(CC)(CCCN)C(=O)OC.
What is the InChIKey of methyl 5-amino-2,2-diethylpentanoate?
The InChIKey is CEJMOPOQYLDSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(5-2,7-6-8-11)9(12)13-3/h4-8,11H2,1-3H3.
What are the key properties of methyl 5-amino-2,2-diethylpentanoate?
methyl 5-amino-2,2-diethylpentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2,2-diethylpentanoate is sourced from PubChem (CID 18784900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).