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

C17H26N2O2 — CID 63303236

IUPACtert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
SMILESCCC(NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-5-15(13-9-7-6-8-10-13)18-14-11-19(12-14)16(20)21-17(2,3)4/h6-10,14-15,18H,5,11-12H2,1-4H3
InChIKeyYPLCIEZGTQMMBF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.35
Rot. Bonds4

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

tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate (PubChem CID 63303236) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
PubChem CID63303236
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
SMILESCCC(NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-5-15(13-9-7-6-8-10-13)18-14-11-19(12-14)16(20)21-17(2,3)4/h6-10,14-15,18H,5,11-12H2,1-4H3
InChIKeyYPLCIEZGTQMMBF-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
tert-butyl 3-(2-ethylsulfanylanilino)azetidine-1-carboxylate
CID 63302854
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
tert-butyl 3-[[(3R)-5-phenylpent-1-en-3-yl]amino]azetidine-1-carboxylate
CID 134961092
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
CID 107241913
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl 3-[[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]amino]azetidine-1-carboxylate
CID 99789131
tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
CID 63302812
tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate (CID 63303236) is tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate is CCC(NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1.
What is the InChIKey of tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate?
The InChIKey is YPLCIEZGTQMMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-15(13-9-7-6-8-10-13)18-14-11-19(12-14)16(20)21-17(2,3)4/h6-10,14-15,18H,5,11-12H2,1-4H3.
What are the key properties of tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate?
tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate is sourced from PubChem (CID 63303236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).