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

C8H16O3 — CID 11051949

IUPACethyl (2S,3S)-3-hydroxy-2-methylpentanoate
SMILESCCOC(=O)[C@@H](C)[C@@H](O)CC
InChIInChI=1S/C8H16O3/c1-4-7(9)6(3)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyBGODBNLURBNSCL-BQBZGAKWSA-N
MW160.21 g/mol
LogP0.96
Rot. Bonds4

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

ethyl (2S,3S)-3-hydroxy-2-methylpentanoate (PubChem CID 11051949) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl (2S,3S)-3-hydroxy-2-methylpentanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-hydroxy-2-methylpentanoate
PubChem CID11051949
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl (2S,3S)-3-hydroxy-2-methylpentanoate
SMILESCCOC(=O)[C@@H](C)[C@@H](O)CC
InChIInChI=1S/C8H16O3/c1-4-7(9)6(3)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyBGODBNLURBNSCL-BQBZGAKWSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2S,3S)-3-hydroxy-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 3-hydroxy-2-methylpentanedioate
CID 22022909
5-ethoxy-3-hydroxy-4-methyl-5-oxopentanoic acid
CID 87648093
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
octyl (2S,3S)-3-hydroxy-2-methylpentanoate
CID 100966025
diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
ethyl 3-hydroxy-2,4-dimethylpentanoate
CID 13235184
ethyl (2R,3S)-3-hydroxy-2,4-dimethylpentanoate
CID 10965025
ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 546410

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-hydroxy-2-methylpentanoate?
The IUPAC name of ethyl (2S,3S)-3-hydroxy-2-methylpentanoate (CID 11051949) is ethyl (2S,3S)-3-hydroxy-2-methylpentanoate.
What is the SMILES notation for ethyl (2S,3S)-3-hydroxy-2-methylpentanoate?
The canonical SMILES for ethyl (2S,3S)-3-hydroxy-2-methylpentanoate is CCOC(=O)[C@@H](C)[C@@H](O)CC.
What is the InChIKey of ethyl (2S,3S)-3-hydroxy-2-methylpentanoate?
The InChIKey is BGODBNLURBNSCL-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7(9)6(3)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of ethyl (2S,3S)-3-hydroxy-2-methylpentanoate?
ethyl (2S,3S)-3-hydroxy-2-methylpentanoate has a molecular weight of 160.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-hydroxy-2-methylpentanoate is sourced from PubChem (CID 11051949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).