ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate

C11H20N2O4 — CID 102784479

IUPACethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H20N2O4/c1-3-17-10(15)6-12-11(16)13-5-4-8(2)9(13)7-14/h8-9,14H,3-7H2,1-2H3,(H,12,16)
InChIKeyYSGCZXGZEUQGDK-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.04
Rot. Bonds4

About ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate

ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate (PubChem CID 102784479) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate
PubChem CID102784479
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H20N2O4/c1-3-17-10(15)6-12-11(16)13-5-4-8(2)9(13)7-14/h8-9,14H,3-7H2,1-2H3,(H,12,16)
InChIKeyYSGCZXGZEUQGDK-UHFFFAOYSA-N
XLogP-0.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate (CID 102784479) is ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC(C)C1CO.
What is the InChIKey of ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate?
The InChIKey is YSGCZXGZEUQGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-17-10(15)6-12-11(16)13-5-4-8(2)9(13)7-14/h8-9,14H,3-7H2,1-2H3,(H,12,16).
What are the key properties of ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate?
ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate has a molecular weight of 244.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 102784479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).