methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate

C11H18N2O4 — CID 78981244

IUPACmethyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H18N2O4/c1-7(11(16)17-3)6-13(2)10(15)8-4-9(14)12-5-8/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyZEJBEHNJYUPWGZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.61
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate (PubChem CID 78981244) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
PubChem CID78981244
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H18N2O4/c1-7(11(16)17-3)6-13(2)10(15)8-4-9(14)12-5-8/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyZEJBEHNJYUPWGZ-UHFFFAOYSA-N
XLogP-0.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 83192789
N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983268
methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate
CID 55008549
methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 78981696
N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981416
N-ethyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78981630
methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate
CID 114826525
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate
CID 114278839
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 136534386
2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390721

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate (CID 78981244) is methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)C1CNC(=O)C1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The InChIKey is ZEJBEHNJYUPWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(11(16)17-3)6-13(2)10(15)8-4-9(14)12-5-8/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate has a molecular weight of 242.27 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 78981244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).