ethyl 3-(2-oxoazepan-1-yl)propanoate

C11H19NO3 — CID 14922094

IUPACethyl 3-(2-oxoazepan-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCCCC1=O
InChIInChI=1S/C11H19NO3/c1-2-15-11(14)7-9-12-8-5-3-4-6-10(12)13/h2-9H2,1H3
InChIKeyDRDLVODRPFYVGH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.34
Rot. Bonds4

About ethyl 3-(2-oxoazepan-1-yl)propanoate

ethyl 3-(2-oxoazepan-1-yl)propanoate (PubChem CID 14922094) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-(2-oxoazepan-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-oxoazepan-1-yl)propanoate
PubChem CID14922094
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-(2-oxoazepan-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCCCC1=O
InChIInChI=1S/C11H19NO3/c1-2-15-11(14)7-9-12-8-5-3-4-6-10(12)13/h2-9H2,1H3
InChIKeyDRDLVODRPFYVGH-UHFFFAOYSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-oxoazepan-1-yl)propanoate?
The IUPAC name of ethyl 3-(2-oxoazepan-1-yl)propanoate (CID 14922094) is ethyl 3-(2-oxoazepan-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-oxoazepan-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2-oxoazepan-1-yl)propanoate is CCOC(=O)CCN1CCCCCC1=O.
What is the InChIKey of ethyl 3-(2-oxoazepan-1-yl)propanoate?
The InChIKey is DRDLVODRPFYVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-11(14)7-9-12-8-5-3-4-6-10(12)13/h2-9H2,1H3.
What are the key properties of ethyl 3-(2-oxoazepan-1-yl)propanoate?
ethyl 3-(2-oxoazepan-1-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-oxoazepan-1-yl)propanoate is sourced from PubChem (CID 14922094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).