tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate

C15H22N2O3 — CID 82709692

IUPACtert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NOCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-13(10-17)16-19-11-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKeySJJRDGNWBVLORG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.33
Rot. Bonds4

About tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate

tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate (PubChem CID 82709692) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
PubChem CID82709692
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NOCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-13(10-17)16-19-11-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKeySJJRDGNWBVLORG-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
CID 126709456
tert-butyl 3-[3-oxo-3-(phenylmethoxyamino)propyl]azetidine-1-carboxylate
CID 163275168
tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77410972
tert-butyl 5-(phenylmethoxyamino)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 57042903
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 70274467
tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 123544484
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate;ethane
CID 90773758
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate
CID 59066098
tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255
tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate
CID 156701929
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
(2S,5R)-2-(2,5-dioxopyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 134603819

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate (CID 82709692) is tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NOCc2ccccc2)C1.
What is the InChIKey of tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate?
The InChIKey is SJJRDGNWBVLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-13(10-17)16-19-11-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3.
What are the key properties of tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate?
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate is sourced from PubChem (CID 82709692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).