2,3-dihydroxy-4-methylpent-3-enoic acid

C6H10O4 — CID 21297227

IUPAC2,3-dihydroxy-4-methylpent-3-enoic acid
SMILESCC(C)=C(O)C(O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(2)4(7)5(8)6(9)10/h5,7-8H,1-2H3,(H,9,10)
InChIKeySFHVKDIVGZIGDJ-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.28
Rot. Bonds2

About 2,3-dihydroxy-4-methylpent-3-enoic acid

2,3-dihydroxy-4-methylpent-3-enoic acid (PubChem CID 21297227) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,3-dihydroxy-4-methylpent-3-enoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-methylpent-3-enoic acid
PubChem CID21297227
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,3-dihydroxy-4-methylpent-3-enoic acid
SMILESCC(C)=C(O)C(O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(2)4(7)5(8)6(9)10/h5,7-8H,1-2H3,(H,9,10)
InChIKeySFHVKDIVGZIGDJ-UHFFFAOYSA-N
XLogP0.28
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-3-oxobutanoic acid
CID 45085131
propyl 2,3-dihydroxy-4-methylpent-3-enoate
CID 18431824
acetic acid;methanetriol
CID 174483633
(E)-2,3-dihydroxypent-3-enoic acid
CID 173482336
2-hydroxy-3-oxopentanoic acid
CID 71338185
2-hydroxypropanoic acid
CID 87075455
(4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol
CID 18643460
lithium 2,3-dihydroxy-3-oxopropanoate
CID 140653273
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
CID 123133976
CID 123133976
2-hydroxypropanoic acid;tetrahydrate
CID 141343914

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-methylpent-3-enoic acid?
The IUPAC name of 2,3-dihydroxy-4-methylpent-3-enoic acid (CID 21297227) is 2,3-dihydroxy-4-methylpent-3-enoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-methylpent-3-enoic acid?
The canonical SMILES for 2,3-dihydroxy-4-methylpent-3-enoic acid is CC(C)=C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-4-methylpent-3-enoic acid?
The InChIKey is SFHVKDIVGZIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3(2)4(7)5(8)6(9)10/h5,7-8H,1-2H3,(H,9,10).
What are the key properties of 2,3-dihydroxy-4-methylpent-3-enoic acid?
2,3-dihydroxy-4-methylpent-3-enoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-methylpent-3-enoic acid is sourced from PubChem (CID 21297227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).