tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate

C16H24N2O3 — CID 63302690

IUPACtert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCCc2ccc(O)cc2)C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(11-18)17-9-8-12-4-6-14(19)7-5-12/h4-7,13,17,19H,8-11H2,1-3H3
InChIKeyMYBPBZDSOVLMGM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.14
Rot. Bonds4

About tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate

tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate (PubChem CID 63302690) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate
PubChem CID63302690
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCCc2ccc(O)cc2)C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(11-18)17-9-8-12-4-6-14(19)7-5-12/h4-7,13,17,19H,8-11H2,1-3H3
InChIKeyMYBPBZDSOVLMGM-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(4-bromophenyl)ethylamino]azetidine-1-carboxylate
CID 57355328
tert-butyl (3R,4R)-3,4-bis[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 154961403
tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate
CID 75365665
tert-butyl 3-[(3,4-dihydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103953629
tert-butyl (3R,4R)-3-[2-(4-fluorophenyl)ethylamino]-4-hydroxypyrrolidine-1-carboxylate
CID 126846366
tert-butyl 3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]azetidine-1-carboxylate
CID 80681471
tert-butyl 3-[(3-bromo-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241926
tert-butyl 3-[(3-chloro-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241821
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 3-[(4-bromo-3-fluorophenyl)methylamino]azetidine-1-carboxylate
CID 107241799
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
CID 113263719

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate (CID 63302690) is tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCCc2ccc(O)cc2)C1.
What is the InChIKey of tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate?
The InChIKey is MYBPBZDSOVLMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(11-18)17-9-8-12-4-6-14(19)7-5-12/h4-7,13,17,19H,8-11H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate?
tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate is sourced from PubChem (CID 63302690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).