(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid

C6H12O4 — CID 141248339

IUPAC(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid
SMILESC[C@@H](CO)C[C@@H](O)C(=O)O
InChIInChI=1S/C6H12O4/c1-4(3-7)2-5(8)6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1
InChIKeySPTXUDXJLAAQTG-RFZPGFLSSA-N
MW148.16 g/mol
LogP-0.55
Rot. Bonds4

About (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid

(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid (PubChem CID 141248339) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid
PubChem CID141248339
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid
SMILESC[C@@H](CO)C[C@@H](O)C(=O)O
InChIInChI=1S/C6H12O4/c1-4(3-7)2-5(8)6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1
InChIKeySPTXUDXJLAAQTG-RFZPGFLSSA-N
XLogP-0.55
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
CID 131873477
CID 131873477
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
CID 156591905
CID 156591905
4-chloro-2-hydroxypentanoic acid
CID 20550476
2,3-dihydroxypropanoic acid
CID 175601105
(2S,4S)-2-hydroxy-4-methyl-5-nitropentanoic acid
CID 11095181
2,4-dimethylpentane-1,5-diol
CID 10964552
2-hydroxy-4-methylundecanoic acid
CID 87684052
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 158303129
CID 158303129

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid?
The IUPAC name of (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid (CID 141248339) is (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid.
What is the SMILES notation for (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid?
The canonical SMILES for (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid is C[C@@H](CO)C[C@@H](O)C(=O)O.
What is the InChIKey of (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid?
The InChIKey is SPTXUDXJLAAQTG-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H12O4/c1-4(3-7)2-5(8)6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1.
What are the key properties of (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid?
(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,5-dihydroxy-4-methylpentanoic acid is sourced from PubChem (CID 141248339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).