(3R)-3,5-dihydroxy-3-methylpentanoate

C6H11O4- — CID 5288798

IUPAC(3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)[O-]
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
InChIKeyKJTLQQUUPVSXIM-ZCFIWIBFSA-M
MW147.15 g/mol
LogP-1.74
Rot. Bonds4

About (3R)-3,5-dihydroxy-3-methylpentanoate

(3R)-3,5-dihydroxy-3-methylpentanoate (PubChem CID 5288798) has the molecular formula C6H11O4- and a molecular weight of 147.15 g/mol. Its IUPAC name is (3R)-3,5-dihydroxy-3-methylpentanoate.

Molecular Properties

Compound Name(3R)-3,5-dihydroxy-3-methylpentanoate
PubChem CID5288798
Molecular FormulaC6H11O4-
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)[O-]
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
InChIKeyKJTLQQUUPVSXIM-ZCFIWIBFSA-M
XLogP-1.74
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dihydroxy-3-methylpentanoate?
The IUPAC name of (3R)-3,5-dihydroxy-3-methylpentanoate (CID 5288798) is (3R)-3,5-dihydroxy-3-methylpentanoate.
What is the SMILES notation for (3R)-3,5-dihydroxy-3-methylpentanoate?
The canonical SMILES for (3R)-3,5-dihydroxy-3-methylpentanoate is C[C@@](O)(CCO)CC(=O)[O-].
What is the InChIKey of (3R)-3,5-dihydroxy-3-methylpentanoate?
The InChIKey is KJTLQQUUPVSXIM-ZCFIWIBFSA-M. 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)/p-1/t6-/m1/s1.
What are the key properties of (3R)-3,5-dihydroxy-3-methylpentanoate?
(3R)-3,5-dihydroxy-3-methylpentanoate has a molecular weight of 147.15 g/mol, XLogP of -1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dihydroxy-3-methylpentanoate is sourced from PubChem (CID 5288798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).