methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate

C11H21NO3 — CID 162750696

IUPACmethyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate
SMILESCOC(=O)CCOCC[C@@H]1CCCN1C
InChIInChI=1S/C11H21NO3/c1-12-7-3-4-10(12)5-8-15-9-6-11(13)14-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKIGWBISIGZLYCW-JTQLQIEISA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds6

About methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate

methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate (PubChem CID 162750696) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate
PubChem CID162750696
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate
SMILESCOC(=O)CCOCC[C@@H]1CCCN1C
InChIInChI=1S/C11H21NO3/c1-12-7-3-4-10(12)5-8-15-9-6-11(13)14-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKIGWBISIGZLYCW-JTQLQIEISA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate?
The IUPAC name of methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate (CID 162750696) is methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate.
What is the SMILES notation for methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate?
The canonical SMILES for methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate is COC(=O)CCOCC[C@@H]1CCCN1C.
What is the InChIKey of methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate?
The InChIKey is KIGWBISIGZLYCW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-12-7-3-4-10(12)5-8-15-9-6-11(13)14-2/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate?
methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]propanoate is sourced from PubChem (CID 162750696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).