ethyl azetidine-1-carboxylate

C6H11NO2 — CID 14088501

IUPACethyl azetidine-1-carboxylate
SMILESCCOC(=O)N1CCC1
InChIInChI=1S/C6H11NO2/c1-2-9-6(8)7-4-3-5-7/h2-5H2,1H3
InChIKeyDDPMDYJTOKYOCN-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.85
Rot. Bonds1

About ethyl azetidine-1-carboxylate

ethyl azetidine-1-carboxylate (PubChem CID 14088501) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl azetidine-1-carboxylate.

Molecular Properties

Compound Nameethyl azetidine-1-carboxylate
PubChem CID14088501
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl azetidine-1-carboxylate
SMILESCCOC(=O)N1CCC1
InChIInChI=1S/C6H11NO2/c1-2-9-6(8)7-4-3-5-7/h2-5H2,1H3
InChIKeyDDPMDYJTOKYOCN-UHFFFAOYSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl azacycloundecane-1-carboxylate
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ethyl 4-tert-butyl-1,4-diazepane-1-carboxylate
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ethyl 4-carbamoylpiperazine-1-carboxylate
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ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
CID 58731641
CID 58731641
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895

Frequently Asked Questions

What is the IUPAC name of ethyl azetidine-1-carboxylate?
The IUPAC name of ethyl azetidine-1-carboxylate (CID 14088501) is ethyl azetidine-1-carboxylate.
What is the SMILES notation for ethyl azetidine-1-carboxylate?
The canonical SMILES for ethyl azetidine-1-carboxylate is CCOC(=O)N1CCC1.
What is the InChIKey of ethyl azetidine-1-carboxylate?
The InChIKey is DDPMDYJTOKYOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-9-6(8)7-4-3-5-7/h2-5H2,1H3.
What are the key properties of ethyl azetidine-1-carboxylate?
ethyl azetidine-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl azetidine-1-carboxylate is sourced from PubChem (CID 14088501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).