3,4-dihydroxy-2-methylidenebutanoic acid

C5H8O4 — CID 14312131

IUPAC3,4-dihydroxy-2-methylidenebutanoic acid
SMILESC=C(C(=O)O)C(O)CO
InChIInChI=1S/C5H8O4/c1-3(5(8)9)4(7)2-6/h4,6-7H,1-2H2,(H,8,9)
InChIKeyOIWJREZAJZVGQN-UHFFFAOYSA-N
MW132.11 g/mol
LogP-1.02
Rot. Bonds3

About 3,4-dihydroxy-2-methylidenebutanoic acid

3,4-dihydroxy-2-methylidenebutanoic acid (PubChem CID 14312131) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 3,4-dihydroxy-2-methylidenebutanoic acid.

Molecular Properties

Compound Name3,4-dihydroxy-2-methylidenebutanoic acid
PubChem CID14312131
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name3,4-dihydroxy-2-methylidenebutanoic acid
SMILESC=C(C(=O)O)C(O)CO
InChIInChI=1S/C5H8O4/c1-3(5(8)9)4(7)2-6/h4,6-7H,1-2H2,(H,8,9)
InChIKeyOIWJREZAJZVGQN-UHFFFAOYSA-N
XLogP-1.02
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-methylidenepentanoic acid
CID 15082519
3,22-dihydroxy-2-methylidenedocosanoic acid
CID 155224872
3,8-dihydroxy-2-methylideneoctanoic acid
CID 57063055
3,5-dihydroxy-2-methylidenehexanoic acid
CID 57105026
2,3-dihydroxypropanoic acid
CID 175601105
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 158303129
CID 158303129
CID 131873477
CID 131873477
CID 156591905
CID 156591905
3,7-dihydroxy-2-methylideneheptanoic acid;prop-2-enoic acid
CID 87290223
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-methylidenebutanoic acid?
The IUPAC name of 3,4-dihydroxy-2-methylidenebutanoic acid (CID 14312131) is 3,4-dihydroxy-2-methylidenebutanoic acid.
What is the SMILES notation for 3,4-dihydroxy-2-methylidenebutanoic acid?
The canonical SMILES for 3,4-dihydroxy-2-methylidenebutanoic acid is C=C(C(=O)O)C(O)CO.
What is the InChIKey of 3,4-dihydroxy-2-methylidenebutanoic acid?
The InChIKey is OIWJREZAJZVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-3(5(8)9)4(7)2-6/h4,6-7H,1-2H2,(H,8,9).
What are the key properties of 3,4-dihydroxy-2-methylidenebutanoic acid?
3,4-dihydroxy-2-methylidenebutanoic acid has a molecular weight of 132.11 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-methylidenebutanoic acid is sourced from PubChem (CID 14312131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).