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

C14H18ClNO2 — CID 23303188

IUPACethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCCOC(=O)C1CCN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-3-18-14(17)13-8-9-16(13)10(2)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyWKJXESWLLZIMLL-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.04
Rot. Bonds4

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

ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate (PubChem CID 23303188) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
PubChem CID23303188
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nameethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCCOC(=O)C1CCN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-3-18-14(17)13-8-9-16(13)10(2)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyWKJXESWLLZIMLL-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-benzylazetidine-2-carboxylate
CID 4385248
N-((4-Chlorophenyl)methyl)glycine ethyl ester
CID 5212684
Ethyl 1-benzhydrylazetidine-2-carboxylate
CID 597637
N-(4-Chlorobenzyl)-1-ethoxy-N,N-dimethyl-1-oxo-2-hexadecanaminium chloride
CID 51059969
3-[(4-Chlorophenyl)methylamino]oxolan-2-one
CID 43823845
1-Benzhydryl-3-vinylazetidine-2-carboxylic acid, ethyl ester
CID 597519
Methyl 1-benzyl-3,3-dimethylazetidine-2-carboxylate
CID 15388752
1-Benzyl-2-methyl-azetidine-2-carboxylic acid ethyl ester
CID 70558658
Methyl 2-(4-chlorophenyl)-2-morpholin-4-ylacetate
CID 71475171
(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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate (CID 23303188) is ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate is CCOC(=O)C1CCN1C(C)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The InChIKey is WKJXESWLLZIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-18-14(17)13-8-9-16(13)10(2)11-4-6-12(15)7-5-11/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate has a molecular weight of 267.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate is sourced from PubChem (CID 23303188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).