(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid

C6H12O4 — CID 11137318

IUPAC(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
SMILESCC(C)[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C6H12O4/c1-3(2)4(7)5(8)6(9)10/h3-5,7-8H,1-2H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyIWXFIKFCUPXJLW-UHNVWZDZSA-N
MW148.16 g/mol
LogP-0.55
Rot. Bonds3

About (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid

(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid (PubChem CID 11137318) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
PubChem CID11137318
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
SMILESCC(C)[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C6H12O4/c1-3(2)4(7)5(8)6(9)10/h3-5,7-8H,1-2H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyIWXFIKFCUPXJLW-UHNVWZDZSA-N
XLogP-0.55
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
CID 170844591
CID 170844591
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
CID 141142510
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
(4R,5S)-4,5-dihydroxy-2,6-dimethylheptan-3-one
CID 89028869
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid
CID 88571219

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid?
The IUPAC name of (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid (CID 11137318) is (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid?
The canonical SMILES for (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid is CC(C)[C@@H](O)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid?
The InChIKey is IWXFIKFCUPXJLW-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12O4/c1-3(2)4(7)5(8)6(9)10/h3-5,7-8H,1-2H3,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid?
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dihydroxy-4-methylpentanoic acid is sourced from PubChem (CID 11137318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).