benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate

C14H19NO3 — CID 131198455

IUPACbenzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
SMILESO=C(NCC(O)C1CCC1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(12-7-4-8-12)9-15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)
InChIKeyYKLZGHJBFUIICZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.07
Rot. Bonds5

About benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate

benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate (PubChem CID 131198455) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
PubChem CID131198455
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
SMILESO=C(NCC(O)C1CCC1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(12-7-4-8-12)9-15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)
InChIKeyYKLZGHJBFUIICZ-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
CID 160872437
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
CID 169233741
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate
CID 141177853
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate
CID 174482515

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
The IUPAC name of benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate (CID 131198455) is benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate.
What is the SMILES notation for benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
The canonical SMILES for benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate is O=C(NCC(O)C1CCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
The InChIKey is YKLZGHJBFUIICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(12-7-4-8-12)9-15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17).
What are the key properties of benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate is sourced from PubChem (CID 131198455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).