methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate

C11H20N2O3 — CID 55207954

IUPACmethyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCN(C)C1
InChIInChI=1S/C11H20N2O3/c1-12-6-4-9(8-12)11(15)13(2)7-5-10(14)16-3/h9H,4-8H2,1-3H3
InChIKeyUUSPSFCIUHFNKP-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.04
Rot. Bonds4

About methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate

methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate (PubChem CID 55207954) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate
PubChem CID55207954
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCN(C)C1
InChIInChI=1S/C11H20N2O3/c1-12-6-4-9(8-12)11(15)13(2)7-5-10(14)16-3/h9H,4-8H2,1-3H3
InChIKeyUUSPSFCIUHFNKP-UHFFFAOYSA-N
XLogP-0.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate (CID 55207954) is methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)C1CCN(C)C1.
What is the InChIKey of methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate?
The InChIKey is UUSPSFCIUHFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-6-4-9(8-12)11(15)13(2)7-5-10(14)16-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate?
methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate has a molecular weight of 228.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 55207954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).