ethyl (2R,4S)-4-hydroxy-2-methylpentanoate

C8H16O3 — CID 163005989

IUPACethyl (2R,4S)-4-hydroxy-2-methylpentanoate
SMILESCCOC(=O)[C@H](C)C[C@H](C)O
InChIInChI=1S/C8H16O3/c1-4-11-8(10)6(2)5-7(3)9/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyPLEQDFVPZNCWGT-RQJHMYQMSA-N
MW160.21 g/mol
LogP0.96
Rot. Bonds4

About ethyl (2R,4S)-4-hydroxy-2-methylpentanoate

ethyl (2R,4S)-4-hydroxy-2-methylpentanoate (PubChem CID 163005989) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl (2R,4S)-4-hydroxy-2-methylpentanoate.

Molecular Properties

Compound Nameethyl (2R,4S)-4-hydroxy-2-methylpentanoate
PubChem CID163005989
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl (2R,4S)-4-hydroxy-2-methylpentanoate
SMILESCCOC(=O)[C@H](C)C[C@H](C)O
InChIInChI=1S/C8H16O3/c1-4-11-8(10)6(2)5-7(3)9/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyPLEQDFVPZNCWGT-RQJHMYQMSA-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 (2R,4S)-4-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

ethyl (2R,4S,6S)-6-hydroxy-2,4-dimethylheptanoate
CID 11008997
ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
ethyl (2S,4R)-2-fluoro-4-hydroxypentanoate
CID 102183126
ethyl (2R,4S)-2-fluoro-4-hydroxypentanoate
CID 102183129
6-ethoxy-3-ethoxycarbonyl-2,5-dimethyl-6-oxohexanoic acid
CID 59867004
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
CID 89060665
CID 89060665
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
ethyl (2S)-3-bromo-2-methylpropanoate
CID 12730420
ethyl 2-hydroxypropanoate;sulfane
CID 162209332

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S)-4-hydroxy-2-methylpentanoate?
The IUPAC name of ethyl (2R,4S)-4-hydroxy-2-methylpentanoate (CID 163005989) is ethyl (2R,4S)-4-hydroxy-2-methylpentanoate.
What is the SMILES notation for ethyl (2R,4S)-4-hydroxy-2-methylpentanoate?
The canonical SMILES for ethyl (2R,4S)-4-hydroxy-2-methylpentanoate is CCOC(=O)[C@H](C)C[C@H](C)O.
What is the InChIKey of ethyl (2R,4S)-4-hydroxy-2-methylpentanoate?
The InChIKey is PLEQDFVPZNCWGT-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-11-8(10)6(2)5-7(3)9/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of ethyl (2R,4S)-4-hydroxy-2-methylpentanoate?
ethyl (2R,4S)-4-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 (2R,4S)-4-hydroxy-2-methylpentanoate is sourced from PubChem (CID 163005989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).