(2R)-2-methyl-3-oxobutanoic acid

C5H8O3 — CID 40578931

IUPAC(2R)-2-methyl-3-oxobutanoic acid
SMILESCC(=O)[C@@H](C)C(=O)O
InChIInChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/t3-/m1/s1
InChIKeyGCXJINGJZAOJHR-GSVOUGTGSA-N
MW116.12 g/mol
LogP0.30
Rot. Bonds2

About (2R)-2-methyl-3-oxobutanoic acid

(2R)-2-methyl-3-oxobutanoic acid (PubChem CID 40578931) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2R)-2-methyl-3-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-oxobutanoic acid
PubChem CID40578931
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2R)-2-methyl-3-oxobutanoic acid
SMILESCC(=O)[C@@H](C)C(=O)O
InChIInChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/t3-/m1/s1
InChIKeyGCXJINGJZAOJHR-GSVOUGTGSA-N
XLogP0.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-oxobutanoic acid?
The IUPAC name of (2R)-2-methyl-3-oxobutanoic acid (CID 40578931) is (2R)-2-methyl-3-oxobutanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-oxobutanoic acid?
The canonical SMILES for (2R)-2-methyl-3-oxobutanoic acid is CC(=O)[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-oxobutanoic acid?
The InChIKey is GCXJINGJZAOJHR-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/t3-/m1/s1.
What are the key properties of (2R)-2-methyl-3-oxobutanoic acid?
(2R)-2-methyl-3-oxobutanoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-oxobutanoic acid is sourced from PubChem (CID 40578931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).