benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate

C14H20N2O2 — CID 176910998

IUPACbenzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
SMILESNCCC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-7-6-12-8-13(9-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyMWHKZGKPAQOMDK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.04
Rot. Bonds5

About benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate

benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate (PubChem CID 176910998) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
PubChem CID176910998
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
SMILESNCCC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-7-6-12-8-13(9-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyMWHKZGKPAQOMDK-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate (CID 176910998) is benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate is NCCC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate?
The InChIKey is MWHKZGKPAQOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-7-6-12-8-13(9-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17).
What are the key properties of benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate?
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate is sourced from PubChem (CID 176910998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).