benzyl N-cyclobutylcarbamate;carbonic acid

C13H17NO5 — CID 66730699

IUPACbenzyl N-cyclobutylcarbamate;carbonic acid
SMILESO=C(NC1CCC1)OCc1ccccc1.O=C(O)O
InChIInChI=1S/C12H15NO2.CH2O3/c14-12(13-11-7-4-8-11)15-9-10-5-2-1-3-6-10;2-1(3)4/h1-3,5-6,11H,4,7-9H2,(H,13,14);(H2,2,3,4)
InChIKeyITOVGVKEAPRLRG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.69
Rot. Bonds3

About benzyl N-cyclobutylcarbamate;carbonic acid

benzyl N-cyclobutylcarbamate;carbonic acid (PubChem CID 66730699) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is benzyl N-cyclobutylcarbamate;carbonic acid.

Molecular Properties

Compound Namebenzyl N-cyclobutylcarbamate;carbonic acid
PubChem CID66730699
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namebenzyl N-cyclobutylcarbamate;carbonic acid
SMILESO=C(NC1CCC1)OCc1ccccc1.O=C(O)O
InChIInChI=1S/C12H15NO2.CH2O3/c14-12(13-11-7-4-8-11)15-9-10-5-2-1-3-6-10;2-1(3)4/h1-3,5-6,11H,4,7-9H2,(H,13,14);(H2,2,3,4)
InChIKeyITOVGVKEAPRLRG-UHFFFAOYSA-N
XLogP2.69
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclobutylcarbamate;carbonic acid?
The IUPAC name of benzyl N-cyclobutylcarbamate;carbonic acid (CID 66730699) is benzyl N-cyclobutylcarbamate;carbonic acid.
What is the SMILES notation for benzyl N-cyclobutylcarbamate;carbonic acid?
The canonical SMILES for benzyl N-cyclobutylcarbamate;carbonic acid is O=C(NC1CCC1)OCc1ccccc1.O=C(O)O.
What is the InChIKey of benzyl N-cyclobutylcarbamate;carbonic acid?
The InChIKey is ITOVGVKEAPRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.CH2O3/c14-12(13-11-7-4-8-11)15-9-10-5-2-1-3-6-10;2-1(3)4/h1-3,5-6,11H,4,7-9H2,(H,13,14);(H2,2,3,4).
What are the key properties of benzyl N-cyclobutylcarbamate;carbonic acid?
benzyl N-cyclobutylcarbamate;carbonic acid has a molecular weight of 267.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclobutylcarbamate;carbonic acid is sourced from PubChem (CID 66730699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).