methyl 2-(1-ethylpyrrolidin-3-yl)acetate

C9H17NO2 — CID 83980600

IUPACmethyl 2-(1-ethylpyrrolidin-3-yl)acetate
SMILESCCN1CCC(CC(=O)OC)C1
InChIInChI=1S/C9H17NO2/c1-3-10-5-4-8(7-10)6-9(11)12-2/h8H,3-7H2,1-2H3
InChIKeyMWNCXSKLRHKXFF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds3

About methyl 2-(1-ethylpyrrolidin-3-yl)acetate

methyl 2-(1-ethylpyrrolidin-3-yl)acetate (PubChem CID 83980600) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(1-ethylpyrrolidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-ethylpyrrolidin-3-yl)acetate
PubChem CID83980600
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(1-ethylpyrrolidin-3-yl)acetate
SMILESCCN1CCC(CC(=O)OC)C1
InChIInChI=1S/C9H17NO2/c1-3-10-5-4-8(7-10)6-9(11)12-2/h8H,3-7H2,1-2H3
InChIKeyMWNCXSKLRHKXFF-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
methyl 3-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688532
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethylpyrrolidin-3-yl)acetate?
The IUPAC name of methyl 2-(1-ethylpyrrolidin-3-yl)acetate (CID 83980600) is methyl 2-(1-ethylpyrrolidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-ethylpyrrolidin-3-yl)acetate?
The canonical SMILES for methyl 2-(1-ethylpyrrolidin-3-yl)acetate is CCN1CCC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(1-ethylpyrrolidin-3-yl)acetate?
The InChIKey is MWNCXSKLRHKXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-5-4-8(7-10)6-9(11)12-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(1-ethylpyrrolidin-3-yl)acetate?
methyl 2-(1-ethylpyrrolidin-3-yl)acetate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethylpyrrolidin-3-yl)acetate is sourced from PubChem (CID 83980600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).