benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride

C12H17ClN2O2 — CID 122164408

IUPACbenzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
SMILESCl.NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C12H16N2O2.ClH/c13-10-6-11(7-10)14-12(15)16-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2,(H,14,15);1H
InChIKeyBGVPTTZDQSXFEP-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.82
Rot. Bonds3

About benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride

benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride (PubChem CID 122164408) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
PubChem CID122164408
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Namebenzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
SMILESCl.NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C12H16N2O2.ClH/c13-10-6-11(7-10)14-12(15)16-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2,(H,14,15);1H
InChIKeyBGVPTTZDQSXFEP-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
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-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
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-aminocyclobutyl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride (CID 122164408) is benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride is Cl.NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride?
The InChIKey is BGVPTTZDQSXFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c13-10-6-11(7-10)14-12(15)16-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2,(H,14,15);1H.
What are the key properties of benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride?
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride is sourced from PubChem (CID 122164408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).