ethyl (2S,3S)-2-amino-3-methylpentanoate

C8H17NO2 — CID 6602175

IUPACethyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCCOC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C8H17NO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1
InChIKeyICPWNTVICOHCML-BQBZGAKWSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds4

About ethyl (2S,3S)-2-amino-3-methylpentanoate

ethyl (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 6602175) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-2-amino-3-methylpentanoate
PubChem CID6602175
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCCOC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C8H17NO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1
InChIKeyICPWNTVICOHCML-BQBZGAKWSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2S,3S)-2-amino-3-methylpentanoate 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 ethyl (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of ethyl (2S,3S)-2-amino-3-methylpentanoate (CID 6602175) is ethyl (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for ethyl (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for ethyl (2S,3S)-2-amino-3-methylpentanoate is CCOC(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of ethyl (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is ICPWNTVICOHCML-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of ethyl (2S,3S)-2-amino-3-methylpentanoate?
ethyl (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 6602175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).