benzyl 2-hydroxycyclobutane-1-carboxylate

C12H14O3 — CID 174627275

IUPACbenzyl 2-hydroxycyclobutane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC1O
InChIInChI=1S/C12H14O3/c13-11-7-6-10(11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2
InChIKeyAYRZYNIGEOMDDF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.50
Rot. Bonds3

About benzyl 2-hydroxycyclobutane-1-carboxylate

benzyl 2-hydroxycyclobutane-1-carboxylate (PubChem CID 174627275) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is benzyl 2-hydroxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-hydroxycyclobutane-1-carboxylate
PubChem CID174627275
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namebenzyl 2-hydroxycyclobutane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC1O
InChIInChI=1S/C12H14O3/c13-11-7-6-10(11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2
InChIKeyAYRZYNIGEOMDDF-UHFFFAOYSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
CID 154728884
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
dibenzyl bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 141428986
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
dibenzyl (3S,4S)-1-cyclopentylpyrrolidine-3,4-dicarboxylate
CID 164643868
benzyl 2-(1,1-difluoroethyl)cyclopropane-1-carboxylate
CID 175348269
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxycyclobutane-1-carboxylate?
The IUPAC name of benzyl 2-hydroxycyclobutane-1-carboxylate (CID 174627275) is benzyl 2-hydroxycyclobutane-1-carboxylate.
What is the SMILES notation for benzyl 2-hydroxycyclobutane-1-carboxylate?
The canonical SMILES for benzyl 2-hydroxycyclobutane-1-carboxylate is O=C(OCc1ccccc1)C1CCC1O.
What is the InChIKey of benzyl 2-hydroxycyclobutane-1-carboxylate?
The InChIKey is AYRZYNIGEOMDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-7-6-10(11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2.
What are the key properties of benzyl 2-hydroxycyclobutane-1-carboxylate?
benzyl 2-hydroxycyclobutane-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxycyclobutane-1-carboxylate is sourced from PubChem (CID 174627275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).