methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate

C12H20N2O4 — CID 47167712

IUPACmethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCN1CC(C(=O)NC(C)(C)C(=O)OC)CC1=O
InChIInChI=1S/C12H20N2O4/c1-5-14-7-8(6-9(14)15)10(16)13-12(2,3)11(17)18-4/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyAVFOFZNPOQTUMC-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.08
Rot. Bonds4

About methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate

methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate (PubChem CID 47167712) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
PubChem CID47167712
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCN1CC(C(=O)NC(C)(C)C(=O)OC)CC1=O
InChIInChI=1S/C12H20N2O4/c1-5-14-7-8(6-9(14)15)10(16)13-12(2,3)11(17)18-4/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyAVFOFZNPOQTUMC-UHFFFAOYSA-N
XLogP-0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate (CID 47167712) is methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate is CCN1CC(C(=O)NC(C)(C)C(=O)OC)CC1=O.
What is the InChIKey of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
The InChIKey is AVFOFZNPOQTUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-14-7-8(6-9(14)15)10(16)13-12(2,3)11(17)18-4/h8H,5-7H2,1-4H3,(H,13,16).
What are the key properties of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate has a molecular weight of 256.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 47167712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).