tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate

C16H24N2O3 — CID 63303226

IUPACtert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
SMILESCOc1cccc(CNC2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-13(11-18)17-9-12-6-5-7-14(8-12)20-4/h5-8,13,17H,9-11H2,1-4H3
InChIKeyHFUVDBSJHOBPQE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate

tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate (PubChem CID 63303226) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
PubChem CID63303226
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
SMILESCOc1cccc(CNC2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-13(11-18)17-9-12-6-5-7-14(8-12)20-4/h5-8,13,17H,9-11H2,1-4H3
InChIKeyHFUVDBSJHOBPQE-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(4-methoxy-3-methylphenyl)methylamino]azetidine-1-carboxylate
CID 103748537
tert-butyl 3-[(2,5-dimethoxyphenyl)methylamino]azetidine-1-carboxylate
CID 103740758
tert-butyl 3-[(3,4-dihydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103953629
4-[(3-methoxyphenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
CID 76853997
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
CID 96515811
tert-butyl 3-[(3-bromo-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241926
tert-butyl 3-[(3-chloro-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241821
tert-butyl (3R)-3-[(3-bromophenyl)methylamino]pyrrolidine-1-carboxylate
CID 96951609
tert-butyl 3-[(3-bromo-4-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 107241982
tert-butyl 3-[(4-bromo-3-fluorophenyl)methylamino]azetidine-1-carboxylate
CID 107241799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate (CID 63303226) is tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate is COc1cccc(CNC2CN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate?
The InChIKey is HFUVDBSJHOBPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-13(11-18)17-9-12-6-5-7-14(8-12)20-4/h5-8,13,17H,9-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate?
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate is sourced from PubChem (CID 63303226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).