tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate

C15H22N2O3 — CID 172714195

IUPACtert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate
SMILESCN(c1ccc(O)cc1)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-12(10-17)16(4)11-5-7-13(18)8-6-11/h5-8,12,18H,9-10H2,1-4H3
InChIKeyFQJXFTIHYOTIHT-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate

tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate (PubChem CID 172714195) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate
PubChem CID172714195
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate
SMILESCN(c1ccc(O)cc1)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-12(10-17)16(4)11-5-7-13(18)8-6-11/h5-8,12,18H,9-10H2,1-4H3
InChIKeyFQJXFTIHYOTIHT-UHFFFAOYSA-N
XLogP2.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-2-carboxylate
CID 166021842
tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
CID 162516277
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222
tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
CID 71258498
tert-butyl 3-[(5-cyano-2-pyridinyl)-methylamino]azetidine-1-carboxylate
CID 169219644
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-[4-(N'-hydroxycarbamimidoyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]anilino]azetidine-1-carboxylate
CID 163862588
tert-butyl 3-[(4-chlorophenyl)methyl-methylamino]azetidine-1-carboxylate
CID 166358344
tert-butyl (1S,5S)-6-(4-hydroxyphenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CID 138543743
tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate
CID 63302690
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate (CID 172714195) is tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate is CN(c1ccc(O)cc1)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate?
The InChIKey is FQJXFTIHYOTIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-12(10-17)16(4)11-5-7-13(18)8-6-11/h5-8,12,18H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate?
tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate is sourced from PubChem (CID 172714195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).