(2S,3R)-2,5-dihydroxy-3-methylpentanoic acid

C6H12O4 — CID 55300753

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

About (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid

(2S,3R)-2,5-dihydroxy-3-methylpentanoic acid (PubChem CID 55300753) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,5-dihydroxy-3-methylpentanoic acid
PubChem CID55300753
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S,3R)-2,5-dihydroxy-3-methylpentanoic acid
SMILESC[C@H](CCO)[C@H](O)C(=O)O
InChIInChI=1S/C6H12O4/c1-4(2-3-7)5(8)6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyQDDMBAKTPRKDFD-UHNVWZDZSA-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

(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid
CID 91281326
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
2-hydroxy-3,5,5-trimethylhexanoic acid
CID 83906054
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
dipotassium;2,3-dihydroxybutanedioic acid;hydride;2-hydroxyacetic acid
CID 173161496
3-methylhexane-1,4,5-triol
CID 90439662
butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162268367
(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
CID 89397021
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
CID 174846249
CID 170844591
CID 170844591
13-hydroxy-3,7-bis(2-hydroxyethyl)-1,2,4,6,8,10,11-heptamethyltridecane-1,5,9-tricarboxylic acid
CID 89308209

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid?
The IUPAC name of (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid (CID 55300753) is (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid?
The canonical SMILES for (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid is C[C@H](CCO)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid?
The InChIKey is QDDMBAKTPRKDFD-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12O4/c1-4(2-3-7)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 (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid?
(2S,3R)-2,5-dihydroxy-3-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 (2S,3R)-2,5-dihydroxy-3-methylpentanoic acid is sourced from PubChem (CID 55300753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).