tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate

C16H22N2O4 — CID 87540100

IUPACtert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NOCc1ccccc1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-10-9-13(18)14(19)17-21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyGJJVOJCNMJTIBW-CYBMUJFWSA-N
MW306.36 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate

tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate (PubChem CID 87540100) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
PubChem CID87540100
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nametert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NOCc1ccccc1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-10-9-13(18)14(19)17-21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyGJJVOJCNMJTIBW-CYBMUJFWSA-N
XLogP2.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
CID 23258205
tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
2-O-benzyl 1-O-tert-butyl (2R)-azetidine-1,2-dicarboxylate
CID 150439110
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
tert-butyl (2S)-2-[[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 59924108
tert-butyl (2S)-2-benzoylazetidine-1-carboxylate
CID 137368495
tert-butyl (3R)-3-[[[(2S)-1-(phenylmethoxycarbamoyl)azepane-2-carbonyl]amino]carbamoyl]pyrrolidine-1-carboxylate
CID 163429155
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
2-O-benzyl 1-O,4-O-ditert-butyl piperazine-1,2,4-tricarboxylate
CID 118427975
benzyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 67890856
dibenzyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pentanedioate
CID 67580591

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate (CID 87540100) is tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NOCc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate?
The InChIKey is GJJVOJCNMJTIBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-10-9-13(18)14(19)17-21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate?
tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 87540100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).