(2R)-2-acetyloxy-4-methylpentanoic acid

C8H14O4 — CID 71346795

IUPAC(2R)-2-acetyloxy-4-methylpentanoic acid
SMILESCC(=O)O[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H14O4/c1-5(2)4-7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKeyIQAAMERVQHMVBU-SSDOTTSWSA-N
MW174.20 g/mol
LogP1.05
Rot. Bonds4

About (2R)-2-acetyloxy-4-methylpentanoic acid

(2R)-2-acetyloxy-4-methylpentanoic acid (PubChem CID 71346795) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-acetyloxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-4-methylpentanoic acid
PubChem CID71346795
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R)-2-acetyloxy-4-methylpentanoic acid
SMILESCC(=O)O[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H14O4/c1-5(2)4-7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKeyIQAAMERVQHMVBU-SSDOTTSWSA-N
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetyloxy-4-methylpentanoate
CID 14875689
(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid
CID 118199112
(2S)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid;hydrochloride
CID 53360483
(2R)-2-(2,2-dichloroacetyl)oxy-4-methylpentanoic acid
CID 22803540
2-(2-bromopropanoyloxy)-4-methylpentanoic acid
CID 142615474
(2S)-2-methoxy-4-methylpentanoic acid
CID 89093087
2-acetyloxybutanoic acid
CID 13327294
4-methyl-2-phosphonooxypentanoic acid
CID 123780215
2-acetyloxybutanedioic acid;ethane
CID 90962940
2-(2-bromobutanoyloxy)-4-methylpentanoic acid
CID 142615476
2-acetyloxy-5-bromohexanoic acid
CID 88794592
(2S)-2-acetyloxypropanoic acid
CID 6326324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-4-methylpentanoic acid?
The IUPAC name of (2R)-2-acetyloxy-4-methylpentanoic acid (CID 71346795) is (2R)-2-acetyloxy-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-acetyloxy-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-acetyloxy-4-methylpentanoic acid is CC(=O)O[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-acetyloxy-4-methylpentanoic acid?
The InChIKey is IQAAMERVQHMVBU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(2)4-7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-4-methylpentanoic acid?
(2R)-2-acetyloxy-4-methylpentanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-4-methylpentanoic acid is sourced from PubChem (CID 71346795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).