ethyl 2-(1-methylpyrrolidin-2-yl)propanoate

C10H19NO2 — CID 174848872

IUPACethyl 2-(1-methylpyrrolidin-2-yl)propanoate
SMILESCCOC(=O)C(C)C1CCCN1C
InChIInChI=1S/C10H19NO2/c1-4-13-10(12)8(2)9-6-5-7-11(9)3/h8-9H,4-7H2,1-3H3
InChIKeySJGQYGXWWVVSKD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About ethyl 2-(1-methylpyrrolidin-2-yl)propanoate

ethyl 2-(1-methylpyrrolidin-2-yl)propanoate (PubChem CID 174848872) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(1-methylpyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-methylpyrrolidin-2-yl)propanoate
PubChem CID174848872
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(1-methylpyrrolidin-2-yl)propanoate
SMILESCCOC(=O)C(C)C1CCCN1C
InChIInChI=1S/C10H19NO2/c1-4-13-10(12)8(2)9-6-5-7-11(9)3/h8-9H,4-7H2,1-3H3
InChIKeySJGQYGXWWVVSKD-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylpyrrolidin-2-yl)propanoate?
The IUPAC name of ethyl 2-(1-methylpyrrolidin-2-yl)propanoate (CID 174848872) is ethyl 2-(1-methylpyrrolidin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(1-methylpyrrolidin-2-yl)propanoate?
The canonical SMILES for ethyl 2-(1-methylpyrrolidin-2-yl)propanoate is CCOC(=O)C(C)C1CCCN1C.
What is the InChIKey of ethyl 2-(1-methylpyrrolidin-2-yl)propanoate?
The InChIKey is SJGQYGXWWVVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-10(12)8(2)9-6-5-7-11(9)3/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(1-methylpyrrolidin-2-yl)propanoate?
ethyl 2-(1-methylpyrrolidin-2-yl)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylpyrrolidin-2-yl)propanoate is sourced from PubChem (CID 174848872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).