2,3-dimethyl-4-oxopentanoic acid

C7H12O3 — CID 15560603

IUPAC2,3-dimethyl-4-oxopentanoic acid
SMILESCC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C7H12O3/c1-4(6(3)8)5(2)7(9)10/h4-5H,1-3H3,(H,9,10)
InChIKeyAUVJPOODTYNOMA-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.93
Rot. Bonds3

About 2,3-dimethyl-4-oxopentanoic acid

2,3-dimethyl-4-oxopentanoic acid (PubChem CID 15560603) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxopentanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxopentanoic acid
PubChem CID15560603
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2,3-dimethyl-4-oxopentanoic acid
SMILESCC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C7H12O3/c1-4(6(3)8)5(2)7(9)10/h4-5H,1-3H3,(H,9,10)
InChIKeyAUVJPOODTYNOMA-UHFFFAOYSA-N
XLogP0.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-dimethyl-4-oxopentanoyl chloride
CID 59966125
3,4,5-trimethylhex-5-en-2-one
CID 123545933
3,4-dimethylpentan-2-one;sulfane
CID 158809949
4-(3-carboxy-2-methylbutanoyl)oxy-2,3-dimethyl-4-oxobutanoic acid
CID 88750735
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
(2S)-3-fluoro-2-methylbutanoic acid
CID 163728037
2-methylpropanoic acid
CID 173073412
3,4-dimethyl-5-oxohexanoic acid
CID 13348293
3-hydroxy-2,4-dimethylpent-4-enoic acid
CID 13152656
propan-2-yl 2,3-dimethyl-4-oxopentanoate
CID 142729919
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
3-acetyl-2-methyl-4-oxopentanoic acid;butane-1,4-diamine
CID 175431718

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxopentanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxopentanoic acid (CID 15560603) is 2,3-dimethyl-4-oxopentanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxopentanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxopentanoic acid is CC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-oxopentanoic acid?
The InChIKey is AUVJPOODTYNOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(6(3)8)5(2)7(9)10/h4-5H,1-3H3,(H,9,10).
What are the key properties of 2,3-dimethyl-4-oxopentanoic acid?
2,3-dimethyl-4-oxopentanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxopentanoic acid is sourced from PubChem (CID 15560603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).