ethyl 5-(azetidin-1-yl)pentanoate

C10H19NO2 — CID 166535323

IUPACethyl 5-(azetidin-1-yl)pentanoate
SMILESCCOC(=O)CCCCN1CCC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)6-3-4-7-11-8-5-9-11/h2-9H2,1H3
InChIKeyGCVIRHBVWMADSW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.43
Rot. Bonds6

About ethyl 5-(azetidin-1-yl)pentanoate

ethyl 5-(azetidin-1-yl)pentanoate (PubChem CID 166535323) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 5-(azetidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(azetidin-1-yl)pentanoate
PubChem CID166535323
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 5-(azetidin-1-yl)pentanoate
SMILESCCOC(=O)CCCCN1CCC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)6-3-4-7-11-8-5-9-11/h2-9H2,1H3
InChIKeyGCVIRHBVWMADSW-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
diethyl hexanedioate
CID 160747628
ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate
CID 11820653
diethyl icosanedioate
CID 5058538
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 46318531
2-piperidin-1-ylethyl hexanoate
CID 59204070

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(azetidin-1-yl)pentanoate?
The IUPAC name of ethyl 5-(azetidin-1-yl)pentanoate (CID 166535323) is ethyl 5-(azetidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 5-(azetidin-1-yl)pentanoate?
The canonical SMILES for ethyl 5-(azetidin-1-yl)pentanoate is CCOC(=O)CCCCN1CCC1.
What is the InChIKey of ethyl 5-(azetidin-1-yl)pentanoate?
The InChIKey is GCVIRHBVWMADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-10(12)6-3-4-7-11-8-5-9-11/h2-9H2,1H3.
What are the key properties of ethyl 5-(azetidin-1-yl)pentanoate?
ethyl 5-(azetidin-1-yl)pentanoate has a molecular weight of 185.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(azetidin-1-yl)pentanoate is sourced from PubChem (CID 166535323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).