3-[(2R)-2-methylbutanoyl]oxypropanoic acid

C8H14O4 — CID 89148058

IUPAC3-[(2R)-2-methylbutanoyl]oxypropanoic acid
SMILESCC[C@@H](C)C(=O)OCCC(=O)O
InChIInChI=1S/C8H14O4/c1-3-6(2)8(11)12-5-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyIOSCOEJTHLFPBI-ZCFIWIBFSA-N
MW174.20 g/mol
LogP1.05
Rot. Bonds5

About 3-[(2R)-2-methylbutanoyl]oxypropanoic acid

3-[(2R)-2-methylbutanoyl]oxypropanoic acid (PubChem CID 89148058) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-[(2R)-2-methylbutanoyl]oxypropanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-methylbutanoyl]oxypropanoic acid
PubChem CID89148058
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-[(2R)-2-methylbutanoyl]oxypropanoic acid
SMILESCC[C@@H](C)C(=O)OCCC(=O)O
InChIInChI=1S/C8H14O4/c1-3-6(2)8(11)12-5-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyIOSCOEJTHLFPBI-ZCFIWIBFSA-N
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-[3-[3-[3-[3-[3-[3-[3-(2-methylbutanoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoic acid
CID 59017707
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
propyl (2R)-2-methylbutanoate
CID 86306230
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
3-methylpentyl 2-methylbutanoate
CID 3019319
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
[3-oxo-3-(2,2,2-trifluoroethoxy)propyl] 2-methylbutanoate
CID 59360578
5-butoxy-4-methyl-5-oxopentanoic acid
CID 89400293
ethane;ethyl 2-methylbutanoate
CID 144747106
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylbutanoyl]oxypropanoic acid?
The IUPAC name of 3-[(2R)-2-methylbutanoyl]oxypropanoic acid (CID 89148058) is 3-[(2R)-2-methylbutanoyl]oxypropanoic acid.
What is the SMILES notation for 3-[(2R)-2-methylbutanoyl]oxypropanoic acid?
The canonical SMILES for 3-[(2R)-2-methylbutanoyl]oxypropanoic acid is CC[C@@H](C)C(=O)OCCC(=O)O.
What is the InChIKey of 3-[(2R)-2-methylbutanoyl]oxypropanoic acid?
The InChIKey is IOSCOEJTHLFPBI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-6(2)8(11)12-5-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of 3-[(2R)-2-methylbutanoyl]oxypropanoic acid?
3-[(2R)-2-methylbutanoyl]oxypropanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylbutanoyl]oxypropanoic acid is sourced from PubChem (CID 89148058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).