tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate

C15H22N2O2 — CID 20795477

IUPACtert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C1CCN1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13(12-9-10-16-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyWPRAPTLCPDTTMN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.61
Rot. Bonds3

About tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate

tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate (PubChem CID 20795477) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
PubChem CID20795477
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C1CCN1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13(12-9-10-16-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyWPRAPTLCPDTTMN-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate
CID 68873303
tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381
methyl (3S,5R)-5-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-2-oxo-3-propan-2-ylpiperazine-1-carboxylate
CID 102024060
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[phenyl(phenylsulfanyl)methyl]carbamate
CID 23303676
tert-butyl N-[(R)-[(1S)-2-(dicyanomethylidene)cyclohexyl]-phenylmethyl]carbamate
CID 102469524
tert-butyl N-[(R)-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-phenylmethyl]carbamate
CID 102145426
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
CID 90120378
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate
CID 134961016

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate (CID 20795477) is tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)C1CCN1.
What is the InChIKey of tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate?
The InChIKey is WPRAPTLCPDTTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13(12-9-10-16-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate?
tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate is sourced from PubChem (CID 20795477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).