2-(cyclobutylmethyl)-3-hydroxypropanoic acid

C8H14O3 — CID 130150360

IUPAC2-(cyclobutylmethyl)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)CC1CCC1
InChIInChI=1S/C8H14O3/c9-5-7(8(10)11)4-6-2-1-3-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeyANRIPKYOYPQIDA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.87
Rot. Bonds4

About 2-(cyclobutylmethyl)-3-hydroxypropanoic acid

2-(cyclobutylmethyl)-3-hydroxypropanoic acid (PubChem CID 130150360) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-3-hydroxypropanoic acid
PubChem CID130150360
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(cyclobutylmethyl)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)CC1CCC1
InChIInChI=1S/C8H14O3/c9-5-7(8(10)11)4-6-2-1-3-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeyANRIPKYOYPQIDA-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-4-ylmethyl)-3-hydroxypropanoic acid
CID 83819373
2-(hydroxymethyl)-3-(thietan-3-yl)propanoic acid
CID 83816635
2-(hydroxymethyl)-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 83817682
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430
2-(cyclobutylmethyl)-3-(4-fluorophenyl)propanoic acid
CID 79418626
(2R)-2-cyclobutyl-3-cyclopropylpropanoic acid
CID 99988116
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
2-[(4-hydroxycyclohexyl)methyl]butanoic acid
CID 142704422
3-(cyclopentylmethyl)-5-hydroxypentan-2-one
CID 103344013
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-(cyclohexylmethyl)-3-[hydroxy(2-methylpropyl)phosphoryl]propanoic acid
CID 15735629
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-3-hydroxypropanoic acid?
The IUPAC name of 2-(cyclobutylmethyl)-3-hydroxypropanoic acid (CID 130150360) is 2-(cyclobutylmethyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(cyclobutylmethyl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(cyclobutylmethyl)-3-hydroxypropanoic acid is O=C(O)C(CO)CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-3-hydroxypropanoic acid?
The InChIKey is ANRIPKYOYPQIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-5-7(8(10)11)4-6-2-1-3-6/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of 2-(cyclobutylmethyl)-3-hydroxypropanoic acid?
2-(cyclobutylmethyl)-3-hydroxypropanoic acid has a molecular weight of 158.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 130150360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).