tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate

C17H26N2O3 — CID 166729062

IUPACtert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C[C@H](N)OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-14(11-19)9-15(18)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t15-/m1/s1
InChIKeyRBZQRYXQGICPNO-OAHLLOKOSA-N
MW306.41 g/mol
LogP2.74
Rot. Bonds5

About tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate

tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate (PubChem CID 166729062) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate
PubChem CID166729062
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C[C@H](N)OCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-14(11-19)9-15(18)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t15-/m1/s1
InChIKeyRBZQRYXQGICPNO-OAHLLOKOSA-N
XLogP2.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[3-oxo-3-(phenylmethoxyamino)propyl]azetidine-1-carboxylate
CID 163275168
benzyl 3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine-1-carboxylate
CID 177342463
benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]piperazine-1-carboxylate
CID 155677833
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-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate
CID 166149628
tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255
benzyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]sulfonylmethyl]azetidine-1-carboxylate
CID 156538201
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate
CID 162402021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate (CID 166729062) is tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C[C@H](N)OCc2ccccc2)C1.
What is the InChIKey of tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate?
The InChIKey is RBZQRYXQGICPNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-14(11-19)9-15(18)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t15-/m1/s1.
What are the key properties of tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate?
tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate is sourced from PubChem (CID 166729062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).