methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride

C8H16ClNO2 — CID 55264396

IUPACmethyl 3-pyrrolidin-3-ylpropanoate;hydrochloride
SMILESCOC(=O)CCC1CCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)3-2-7-4-5-9-6-7;/h7,9H,2-6H2,1H3;1H
InChIKeyFUSNRWBEGDWOIB-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds3

About methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride

methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride (PubChem CID 55264396) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-3-ylpropanoate;hydrochloride
PubChem CID55264396
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 3-pyrrolidin-3-ylpropanoate;hydrochloride
SMILESCOC(=O)CCC1CCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)3-2-7-4-5-9-6-7;/h7,9H,2-6H2,1H3;1H
InChIKeyFUSNRWBEGDWOIB-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride?
The IUPAC name of methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride (CID 55264396) is methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride is COC(=O)CCC1CCNC1.Cl.
What is the InChIKey of methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride?
The InChIKey is FUSNRWBEGDWOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-8(10)3-2-7-4-5-9-6-7;/h7,9H,2-6H2,1H3;1H.
What are the key properties of methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride?
methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-3-ylpropanoate;hydrochloride is sourced from PubChem (CID 55264396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).