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

C16H24N2O3 — CID 102672525

IUPACtert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N[C@@H](CO)c2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-9-13(10-18)17-14(11-19)12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyOEBIADGNMSUNMQ-AWEZNQCLSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds4

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

tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate (PubChem CID 102672525) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
PubChem CID102672525
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N[C@@H](CO)c2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-9-13(10-18)17-14(11-19)12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyOEBIADGNMSUNMQ-AWEZNQCLSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
CID 63303236
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl 4-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 54485837
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
tert-butyl 3-(2-ethylsulfanylanilino)azetidine-1-carboxylate
CID 63302854
tert-butyl 3-[[(3R)-5-phenylpent-1-en-3-yl]amino]azetidine-1-carboxylate
CID 134961092
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate (CID 102672525) is tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N[C@@H](CO)c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate?
The InChIKey is OEBIADGNMSUNMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-9-13(10-18)17-14(11-19)12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 102672525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).