tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate

C17H26N2O2 — CID 176845738

IUPACtert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(C)(CN)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-10-14(11-19)17(4,12-18)13-8-6-5-7-9-13/h5-9,14H,10-12,18H2,1-4H3
InChIKeyBFTJARHUGOWSOJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate

tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate (PubChem CID 176845738) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate
PubChem CID176845738
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(C)(CN)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-10-14(11-19)17(4,12-18)13-8-6-5-7-9-13/h5-9,14H,10-12,18H2,1-4H3
InChIKeyBFTJARHUGOWSOJ-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
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tert-butyl N-(2-amino-3-phenylpropyl)-N-methylcarbamate
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tert-Butyl 4-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 86276676
tert-Butyl 4-(aminomethyl)-4-[2-(trifluoromethyl)benzyl]piperidine-1-carboxylate
CID 86276748
tert-Butyl 4-(aminomethyl)-4-(2-fluorobenzyl)piperidine-1-carboxylate
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CID 146649231

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate (CID 176845738) is tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(C)(CN)c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate?
The InChIKey is BFTJARHUGOWSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-10-14(11-19)17(4,12-18)13-8-6-5-7-9-13/h5-9,14H,10-12,18H2,1-4H3.
What are the key properties of tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-2-phenylpropan-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 176845738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).