3-hydroxy-3-methylpentanedioic acid

C6H10O5 — CID 1662

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IUPAC3-hydroxy-3-methylpentanedioic acid
SMILESCC(O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyNPOAOTPXWNWTSH-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.31
Rot. Bonds4

About 3-hydroxy-3-methylpentanedioic acid

3-hydroxy-3-methylpentanedioic acid (PubChem CID 1662) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-hydroxy-3-methylpentanedioic acid.

Molecular Properties

Compound Name3-hydroxy-3-methylpentanedioic acid
PubChem CID1662
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name3-hydroxy-3-methylpentanedioic acid
SMILESCC(O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyNPOAOTPXWNWTSH-UHFFFAOYSA-N
XLogP-0.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Mevalonic Acid
CID 449
3-Methylglutaric acid
CID 12284
(R)-(-)-Mevalonic acid
CID 439230
(R)-mevalonate
CID 5288798
3-Hydroxy-3-methylpentanoic acid
CID 538288
Mevalonate
CID 4478250
2-Methyl-1,1,3-propanetricarboxylic acid
CID 230738
Homomevalonic acid
CID 3080831
4-Hydroxy-4-methyloxane-2,6-dione
CID 5239430
Dimethyl 3-hydroxy-3-methylglutarate
CID 92482
(R)-Mevalonic acid lithium salt
CID 55296253
Lithium(1+) 3,5-dihydroxy-3-methylpentanoate
CID 76224943

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methylpentanedioic acid?
The IUPAC name of 3-hydroxy-3-methylpentanedioic acid (CID 1662) is 3-hydroxy-3-methylpentanedioic acid.
What is the SMILES notation for 3-hydroxy-3-methylpentanedioic acid?
The canonical SMILES for 3-hydroxy-3-methylpentanedioic acid is CC(O)(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methylpentanedioic acid?
The InChIKey is NPOAOTPXWNWTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-hydroxy-3-methylpentanedioic acid?
3-hydroxy-3-methylpentanedioic acid has a molecular weight of 162.14 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylpentanedioic acid is sourced from PubChem (CID 1662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).