tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate

C15H22N2O2 — CID 22981091

IUPACtert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cccc(N)c2)CCC1
InChIInChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-15(8-5-9-15)11-6-4-7-12(16)10-11/h4,6-7,10H,5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJAELPCLFLCIGOE-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate

tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate (PubChem CID 22981091) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
PubChem CID22981091
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cccc(N)c2)CCC1
InChIInChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-15(8-5-9-15)11-6-4-7-12(16)10-11/h4,6-7,10H,5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJAELPCLFLCIGOE-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
tert-butyl N-[1-[3-(carbamothioylamino)phenyl]cyclohexyl]carbamate
CID 22981119
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
tert-butyl N-[1-[3-[(N'-nitrocarbamimidoyl)amino]phenyl]cyclopentyl]carbamate
CID 173221400
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl]carbamate
CID 58326444
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
CID 138554710
tert-butyl N-[1-(3-bromophenyl)-3,3-dimethoxycyclobutyl]carbamate
CID 118996733
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylphenyl)azetidine-1-carboxylate
CID 166608186
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate (CID 22981091) is tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2cccc(N)c2)CCC1.
What is the InChIKey of tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate?
The InChIKey is JAELPCLFLCIGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-15(8-5-9-15)11-6-4-7-12(16)10-11/h4,6-7,10H,5,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate?
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate is sourced from PubChem (CID 22981091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).