methyl 3-(1-methylpyrrolidin-2-yl)propanoate

C9H17NO2 — CID 11019316

IUPACmethyl 3-(1-methylpyrrolidin-2-yl)propanoate
SMILESCOC(=O)CCC1CCCN1C
InChIInChI=1S/C9H17NO2/c1-10-7-3-4-8(10)5-6-9(11)12-2/h8H,3-7H2,1-2H3
InChIKeyXDSVLXLHNRYBAC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds3

About methyl 3-(1-methylpyrrolidin-2-yl)propanoate

methyl 3-(1-methylpyrrolidin-2-yl)propanoate (PubChem CID 11019316) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 3-(1-methylpyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-methylpyrrolidin-2-yl)propanoate
PubChem CID11019316
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 3-(1-methylpyrrolidin-2-yl)propanoate
SMILESCOC(=O)CCC1CCCN1C
InChIInChI=1S/C9H17NO2/c1-10-7-3-4-8(10)5-6-9(11)12-2/h8H,3-7H2,1-2H3
InChIKeyXDSVLXLHNRYBAC-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methylpyrrolidin-2-yl)propanoate?
The IUPAC name of methyl 3-(1-methylpyrrolidin-2-yl)propanoate (CID 11019316) is methyl 3-(1-methylpyrrolidin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(1-methylpyrrolidin-2-yl)propanoate?
The canonical SMILES for methyl 3-(1-methylpyrrolidin-2-yl)propanoate is COC(=O)CCC1CCCN1C.
What is the InChIKey of methyl 3-(1-methylpyrrolidin-2-yl)propanoate?
The InChIKey is XDSVLXLHNRYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-7-3-4-8(10)5-6-9(11)12-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 3-(1-methylpyrrolidin-2-yl)propanoate?
methyl 3-(1-methylpyrrolidin-2-yl)propanoate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methylpyrrolidin-2-yl)propanoate is sourced from PubChem (CID 11019316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).