propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate

C15H20ClNO2 — CID 23303251

IUPACpropan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-10(2)19-15(18)14-8-9-17(14)11(3)12-4-6-13(16)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyQDWLJMQMVGDABU-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.43
Rot. Bonds4

About propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate

propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate (PubChem CID 23303251) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
PubChem CID23303251
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Namepropan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-10(2)19-15(18)14-8-9-17(14)11(3)12-4-6-13(16)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyQDWLJMQMVGDABU-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Chlorobenzyl)-1-ethoxy-N,N-dimethyl-1-oxo-2-hexadecanaminium chloride
CID 51059969
1-Benzyl-2-methyl-azetidine-2-carboxylic acid ethyl ester
CID 70558658
(3S)-3-[(4-chlorophenyl)methyl-methylamino]oxolan-2-one
CID 40141371
3-[(2-Chlorophenyl)methyl-methylamino]-5-methyloxolan-2-one
CID 45801125
3-[(3-Chlorophenyl)methyl-methylamino]-5-methyloxolan-2-one
CID 45861830
Methyl 2-{[(4-chlorophenyl)methyl]amino}-3-methylbutanoate
CID 4794414
tert-butyl (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carboxylate
CID 16080309
Methyl (s)-1-(4-chlorobenzyl)pyrrolidine-2-carboxylate
CID 40514705
tert-butyl (2R)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate
CID 91987526
tert-butyl (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate
CID 91987527
ethyl (2R)-1-[(1S)-1-phenylethyl]-2-prop-2-enylazetidine-2-carboxylate
CID 102306235
ethyl (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate
CID 124506526

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The IUPAC name of propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate (CID 23303251) is propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate is CC(C)OC(=O)C1CCN1C(C)c1ccc(Cl)cc1.
What is the InChIKey of propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The InChIKey is QDWLJMQMVGDABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10(2)19-15(18)14-8-9-17(14)11(3)12-4-6-13(16)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate is sourced from PubChem (CID 23303251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).