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

C10H16N2O4 — CID 83192789

IUPAC2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6(10(15)16)5-12(2)9(14)7-3-8(13)11-4-7/h6-7H,3-5H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyWAINIVLIVVHPDK-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.70
Rot. Bonds4

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

2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 83192789) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID83192789
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6(10(15)16)5-12(2)9(14)7-3-8(13)11-4-7/h6-7H,3-5H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyWAINIVLIVVHPDK-UHFFFAOYSA-N
XLogP-0.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 78981244
N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983268
2-methyl-3-[methyl(thiane-4-carbonyl)amino]propanoic acid
CID 110837236
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 136534386
3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008085
N-ethyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78981630
4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 83193312
N-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983294
2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119228113
N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 115691430
3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 106703400
3-[(3-fluorocyclohexanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 122126147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (CID 83192789) is 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is CC(CN(C)C(=O)C1CNC(=O)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is WAINIVLIVVHPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(10(15)16)5-12(2)9(14)7-3-8(13)11-4-7/h6-7H,3-5H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 83192789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).