Mevalonic Acid

C6H12O4 — CID 449

IUPAC3,5-dihydroxy-3-methylpentanoic acid
SMILESCC(CCO)(CC(=O)O)O
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
InChIKeyKJTLQQUUPVSXIM-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.00
Rot. Bonds4

About Mevalonic Acid

Mevalonic Acid (PubChem CID 449) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3,5-dihydroxy-3-methylpentanoic acid.

Molecular Properties

Compound NameMevalonic Acid
PubChem CID449
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name3,5-dihydroxy-3-methylpentanoic acid
SMILESCC(CCO)(CC(=O)O)O
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
InChIKeyKJTLQQUUPVSXIM-UHFFFAOYSA-N
XLogP-1.00
TPSA77.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity123

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-3-methylglutaric acid
CID 1662
(R)-(-)-Mevalonic acid
CID 439230
(3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
CID 439400
(R)-mevalonate
CID 5288798
3-Hydroxy-3-methylpentanoic acid
CID 538288
(R)-5-phosphonatomevalonate(3-)
CID 25244548
Mevalonate
CID 4478250
(R)-Mevalonate 3-phosphate
CID 86287502
Homomevalonic acid
CID 3080831
Dimethyl 3-hydroxy-3-methylglutarate
CID 92482
Phosphomevalonic acid
CID 476
(R)-Mevalonic acid lithium salt
CID 55296253

Frequently Asked Questions

What is the IUPAC name of Mevalonic Acid?
The IUPAC name of Mevalonic Acid (CID 449) is 3,5-dihydroxy-3-methylpentanoic acid.
What is the SMILES notation for Mevalonic Acid?
The canonical SMILES for Mevalonic Acid is CC(CCO)(CC(=O)O)O.
What is the InChIKey of Mevalonic Acid?
The InChIKey is KJTLQQUUPVSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9).
What are the key properties of Mevalonic Acid?
Mevalonic Acid has a molecular weight of 148.16 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Mevalonic Acid is sourced from PubChem (CID 449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).