(2R)-2-(hydroxymethyl)butanoic acid

C5H10O3 — CID 11586303

IUPAC(2R)-2-(hydroxymethyl)butanoic acid
SMILESCC[C@H](CO)C(=O)O
InChIInChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyZMZQVAUJTDKQGE-SCSAIBSYSA-N
MW118.13 g/mol
LogP0.09
Rot. Bonds3

About (2R)-2-(hydroxymethyl)butanoic acid

(2R)-2-(hydroxymethyl)butanoic acid (PubChem CID 11586303) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)butanoic acid
PubChem CID11586303
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2R)-2-(hydroxymethyl)butanoic acid
SMILESCC[C@H](CO)C(=O)O
InChIInChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyZMZQVAUJTDKQGE-SCSAIBSYSA-N
XLogP0.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
2,4-bis(hydroxymethyl)hexanoic acid
CID 123629502
2-ethylpentanoic acid
CID 158993232
(2S)-2-ethylbutanedioic acid
CID 6997245
2-ethylpentanoic acid
CID 30020
2-(hydroxymethyl)-4-oxohexanoic acid
CID 86044458
2-ethylpentanoic acid;2-hydroxyacetic acid
CID 87121623
sodium 2-(hydroxymethyl)butanoate
CID 23711714
pentakis((2S,3R)-butane-1,2,3,4-tetrol);tetrakis(2-ethylhexanoic acid)
CID 173071493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)butanoic acid?
The IUPAC name of (2R)-2-(hydroxymethyl)butanoic acid (CID 11586303) is (2R)-2-(hydroxymethyl)butanoic acid.
What is the SMILES notation for (2R)-2-(hydroxymethyl)butanoic acid?
The canonical SMILES for (2R)-2-(hydroxymethyl)butanoic acid is CC[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-(hydroxymethyl)butanoic acid?
The InChIKey is ZMZQVAUJTDKQGE-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)butanoic acid?
(2R)-2-(hydroxymethyl)butanoic acid has a molecular weight of 118.13 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)butanoic acid is sourced from PubChem (CID 11586303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).