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

C6H12O4 — CID 139665341

IUPAC(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
SMILESCC(O)[C@H](C)[C@H](O)C(=O)O
InChIInChI=1S/C6H12O4/c1-3(4(2)7)5(8)6(9)10/h3-5,7-8H,1-2H3,(H,9,10)/t3-,4?,5-/m0/s1
InChIKeyRCQMSPNRMFYLJX-DSDZBIDZSA-N
MW148.16 g/mol
LogP-0.55
Rot. Bonds3

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

(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid (PubChem CID 139665341) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
PubChem CID139665341
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
SMILESCC(O)[C@H](C)[C@H](O)C(=O)O
InChIInChI=1S/C6H12O4/c1-3(4(2)7)5(8)6(9)10/h3-5,7-8H,1-2H3,(H,9,10)/t3-,4?,5-/m0/s1
InChIKeyRCQMSPNRMFYLJX-DSDZBIDZSA-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,3S,4S)-2,4-dihydroxy-3-methylpentanoic acid
CID 155797991
(2R,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665346
2,3-dihydroxybutanoic acid;methane;yttrium
CID 159544972
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
CID 89397021
CID 170844591
CID 170844591
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
CID 141142510

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid (CID 139665341) is (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid is CC(O)[C@H](C)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid?
The InChIKey is RCQMSPNRMFYLJX-DSDZBIDZSA-N. The full InChI is InChI=1S/C6H12O4/c1-3(4(2)7)5(8)6(9)10/h3-5,7-8H,1-2H3,(H,9,10)/t3-,4?,5-/m0/s1.
What are the key properties of (2S,3S)-2,4-dihydroxy-3-methylpentanoic acid?
(2S,3S)-2,4-dihydroxy-3-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,3S)-2,4-dihydroxy-3-methylpentanoic acid is sourced from PubChem (CID 139665341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).