(2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid

C8H14O3 — CID 10855740

IUPAC(2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid
SMILESC=C[C@@H](C(=O)O)[C@@H](O)C(C)C
InChIInChI=1S/C8H14O3/c1-4-6(8(10)11)7(9)5(2)3/h4-7,9H,1H2,2-3H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyRNLHTAOFGPEIGV-RQJHMYQMSA-N
MW158.20 g/mol
LogP0.89
Rot. Bonds4

About (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid

(2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid (PubChem CID 10855740) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid
PubChem CID10855740
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid
SMILESC=C[C@@H](C(=O)O)[C@@H](O)C(C)C
InChIInChI=1S/C8H14O3/c1-4-6(8(10)11)7(9)5(2)3/h4-7,9H,1H2,2-3H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyRNLHTAOFGPEIGV-RQJHMYQMSA-N
XLogP0.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid (CID 10855740) is (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid is C=C[C@@H](C(=O)O)[C@@H](O)C(C)C.
What is the InChIKey of (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid?
The InChIKey is RNLHTAOFGPEIGV-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6(8(10)11)7(9)5(2)3/h4-7,9H,1H2,2-3H3,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid?
(2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid has a molecular weight of 158.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-3-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 10855740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).