cyclobutyl 2,3-dihydroxypropanoate

C7H12O4 — CID 141365540

IUPACcyclobutyl 2,3-dihydroxypropanoate
SMILESO=C(OC1CCC1)C(O)CO
InChIInChI=1S/C7H12O4/c8-4-6(9)7(10)11-5-2-1-3-5/h5-6,8-9H,1-4H2
InChIKeyGMKSDGCXGZVIHL-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.56
Rot. Bonds3

About cyclobutyl 2,3-dihydroxypropanoate

cyclobutyl 2,3-dihydroxypropanoate (PubChem CID 141365540) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is cyclobutyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Namecyclobutyl 2,3-dihydroxypropanoate
PubChem CID141365540
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namecyclobutyl 2,3-dihydroxypropanoate
SMILESO=C(OC1CCC1)C(O)CO
InChIInChI=1S/C7H12O4/c8-4-6(9)7(10)11-5-2-1-3-5/h5-6,8-9H,1-4H2
InChIKeyGMKSDGCXGZVIHL-UHFFFAOYSA-N
XLogP-0.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
cyclohexyl 2,3-dihydroxypropanoate;hexyl 2,3-dihydroxypropanoate
CID 166679999
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cycloheptyl (2S)-4-amino-2-hydroxybutanoate
CID 107837588
cyclohexyl 4-cyclohexylsulfanyl-2-hydroxy-4-oxobutanoate
CID 88519340
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
cyclobutyl N-(2,3-dihydroxypropyl)carbamate
CID 156816353
cyclopentyl (2S)-2-amino-2-cyclopropylacetate
CID 94554301
cyclobutyl 2,3-dimethylpentanoate
CID 174713613
1-O-cyclohexyl 4-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-hydroxybutanedioate
CID 139675890
(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
CID 107837631
cycloheptyl 6-hydroxy-2-methylhexanoate
CID 122575742

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2,3-dihydroxypropanoate?
The IUPAC name of cyclobutyl 2,3-dihydroxypropanoate (CID 141365540) is cyclobutyl 2,3-dihydroxypropanoate.
What is the SMILES notation for cyclobutyl 2,3-dihydroxypropanoate?
The canonical SMILES for cyclobutyl 2,3-dihydroxypropanoate is O=C(OC1CCC1)C(O)CO.
What is the InChIKey of cyclobutyl 2,3-dihydroxypropanoate?
The InChIKey is GMKSDGCXGZVIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-4-6(9)7(10)11-5-2-1-3-5/h5-6,8-9H,1-4H2.
What are the key properties of cyclobutyl 2,3-dihydroxypropanoate?
cyclobutyl 2,3-dihydroxypropanoate has a molecular weight of 160.17 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 141365540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).