ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate

C8H14O3 — CID 57337738

IUPACethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate
SMILESC=C[C@H](O)[C@H](C)C(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h4,6-7,9H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyIYNHIUKQVYCJMW-BQBZGAKWSA-N
MW158.20 g/mol
LogP0.73
Rot. Bonds4

About ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate

ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate (PubChem CID 57337738) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate
PubChem CID57337738
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate
SMILESC=C[C@H](O)[C@H](C)C(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h4,6-7,9H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyIYNHIUKQVYCJMW-BQBZGAKWSA-N
XLogP0.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate 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 3-hydroxypent-4-enoate
CID 545575
tert-butyl (R)-3-hydroxypent-4-enoate
CID 10975952
Tert-butyl 3-hydroxypent-4-enoate
CID 11769016
3-Hydroxy-4-pentenoic acid
CID 162354
3-Hydroxy-4-hexenoic acid, ethyl ester
CID 5462990
4-Pentenoic acid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester, (2S)-
CID 10241258
Ethyl 2-[1-(3-hydroxypropoxy)ethyl]-4-pentenoate
CID 14915897
(R)-3-Hydroxypent-4-enoic acid
CID 10844372
4-Pentenoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester
CID 11321232
Methyl 3-Hydroxy-4-pentenoate
CID 12740494
Ethyl 2-ethyl-3-hydroxypent-4-enoate
CID 18539688
Tert-butyl 3-hydroxy-2-methylpent-4-enoate
CID 23372215

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate?
The IUPAC name of ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate (CID 57337738) is ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate.
What is the SMILES notation for ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate?
The canonical SMILES for ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate is C=C[C@H](O)[C@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate?
The InChIKey is IYNHIUKQVYCJMW-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h4,6-7,9H,1,5H2,2-3H3/t6-,7-/m0/s1.
What are the key properties of ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate?
ethyl (2S,3S)-3-hydroxy-2-methylpent-4-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.73, 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-methylpent-4-enoate is sourced from PubChem (CID 57337738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).