(3S)-3-hydroxy-4-methylpent-4-enoic acid

C6H10O3 — CID 75481565

IUPAC(3S)-3-hydroxy-4-methylpent-4-enoic acid
SMILESC=C(C)[C@@H](O)CC(=O)O
InChIInChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h5,7H,1,3H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyFVSIFLIGNROQDR-YFKPBYRVSA-N
MW130.14 g/mol
LogP0.40
Rot. Bonds3

About (3S)-3-hydroxy-4-methylpent-4-enoic acid

(3S)-3-hydroxy-4-methylpent-4-enoic acid (PubChem CID 75481565) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-methylpent-4-enoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-methylpent-4-enoic acid
PubChem CID75481565
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3S)-3-hydroxy-4-methylpent-4-enoic acid
SMILESC=C(C)[C@@H](O)CC(=O)O
InChIInChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h5,7H,1,3H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyFVSIFLIGNROQDR-YFKPBYRVSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
4-acetyloxy-3-hydroxy-4-oxobutanoic acid
CID 22352104
14-hydroxy-15-methylhexadec-15-enoic acid
CID 551190
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
2-hydroxybutanedioic acid;iron
CID 174146167
4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene
CID 87593463
2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 87085707
(3R)-4-methyl-3-(trifluoromethyl)pent-4-enoic acid
CID 139414896
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4-methylpent-4-enoic acid?
The IUPAC name of (3S)-3-hydroxy-4-methylpent-4-enoic acid (CID 75481565) is (3S)-3-hydroxy-4-methylpent-4-enoic acid.
What is the SMILES notation for (3S)-3-hydroxy-4-methylpent-4-enoic acid?
The canonical SMILES for (3S)-3-hydroxy-4-methylpent-4-enoic acid is C=C(C)[C@@H](O)CC(=O)O.
What is the InChIKey of (3S)-3-hydroxy-4-methylpent-4-enoic acid?
The InChIKey is FVSIFLIGNROQDR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h5,7H,1,3H2,2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-methylpent-4-enoic acid?
(3S)-3-hydroxy-4-methylpent-4-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4-methylpent-4-enoic acid is sourced from PubChem (CID 75481565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).