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

C11H19NO3 — CID 71332308

IUPACethyl 3-(1-acetylpyrrolidin-2-yl)propanoate
SMILESCCOC(=O)CCC1CCCN1C(C)=O
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)7-6-10-5-4-8-12(10)9(2)13/h10H,3-8H2,1-2H3
InChIKeyWBSCWDRZWXIOMB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.34
Rot. Bonds4

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

ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate (PubChem CID 71332308) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-acetylpyrrolidin-2-yl)propanoate
PubChem CID71332308
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-(1-acetylpyrrolidin-2-yl)propanoate
SMILESCCOC(=O)CCC1CCCN1C(C)=O
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)7-6-10-5-4-8-12(10)9(2)13/h10H,3-8H2,1-2H3
InChIKeyWBSCWDRZWXIOMB-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-(1-acetylpyrrolidin-2-yl)propanoate?
The IUPAC name of ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate (CID 71332308) is ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate?
The canonical SMILES for ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate is CCOC(=O)CCC1CCCN1C(C)=O.
What is the InChIKey of ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate?
The InChIKey is WBSCWDRZWXIOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-11(14)7-6-10-5-4-8-12(10)9(2)13/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate?
ethyl 3-(1-acetylpyrrolidin-2-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-(1-acetylpyrrolidin-2-yl)propanoate is sourced from PubChem (CID 71332308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).