(4S)-4-hydroxy-2,3-dimethylpentanoic acid

C7H14O3 — CID 146599798

IUPAC(4S)-4-hydroxy-2,3-dimethylpentanoic acid
SMILESCC(C(=O)O)C(C)[C@H](C)O
InChIInChI=1S/C7H14O3/c1-4(6(3)8)5(2)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t4?,5?,6-/m0/s1
InChIKeyOHBGZOSBCSFXHF-WRVKLSGPSA-N
MW146.19 g/mol
LogP0.72
Rot. Bonds3

About (4S)-4-hydroxy-2,3-dimethylpentanoic acid

(4S)-4-hydroxy-2,3-dimethylpentanoic acid (PubChem CID 146599798) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4S)-4-hydroxy-2,3-dimethylpentanoic acid.

Molecular Properties

Compound Name(4S)-4-hydroxy-2,3-dimethylpentanoic acid
PubChem CID146599798
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(4S)-4-hydroxy-2,3-dimethylpentanoic acid
SMILESCC(C(=O)O)C(C)[C@H](C)O
InChIInChI=1S/C7H14O3/c1-4(6(3)8)5(2)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t4?,5?,6-/m0/s1
InChIKeyOHBGZOSBCSFXHF-WRVKLSGPSA-N
XLogP0.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S)-2,4-dihydroxy-3-methylpentanoic acid
CID 155797991
(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665341
(2R,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665346
4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414579
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
(2S,3S)-3-hydroxy-2-(trideuteriomethyl)butanoic acid
CID 169441958
3-hydroxy-2,4-dimethylpent-4-enoic acid
CID 13152656
2,3-dihydroxybutanoic acid;methane;yttrium
CID 159544972
2-(1,2-dihydroxypropyl)propanedioic acid
CID 21198499
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
2-hydroxypropanoic acid
CID 87075455

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-2,3-dimethylpentanoic acid?
The IUPAC name of (4S)-4-hydroxy-2,3-dimethylpentanoic acid (CID 146599798) is (4S)-4-hydroxy-2,3-dimethylpentanoic acid.
What is the SMILES notation for (4S)-4-hydroxy-2,3-dimethylpentanoic acid?
The canonical SMILES for (4S)-4-hydroxy-2,3-dimethylpentanoic acid is CC(C(=O)O)C(C)[C@H](C)O.
What is the InChIKey of (4S)-4-hydroxy-2,3-dimethylpentanoic acid?
The InChIKey is OHBGZOSBCSFXHF-WRVKLSGPSA-N. The full InChI is InChI=1S/C7H14O3/c1-4(6(3)8)5(2)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t4?,5?,6-/m0/s1.
What are the key properties of (4S)-4-hydroxy-2,3-dimethylpentanoic acid?
(4S)-4-hydroxy-2,3-dimethylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-2,3-dimethylpentanoic acid is sourced from PubChem (CID 146599798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).