3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid

C12H20N2O4 — CID 55008085

IUPAC3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCN1CC(C(=O)N(C)CC(C)C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-4-14-7-9(5-10(14)15)11(16)13(3)6-8(2)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyHWUVJDXEXFXGMW-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.03
Rot. Bonds5

About 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 55008085) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID55008085
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCN1CC(C(=O)N(C)CC(C)C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-4-14-7-9(5-10(14)15)11(16)13(3)6-8(2)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyHWUVJDXEXFXGMW-UHFFFAOYSA-N
XLogP0.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119661116
3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 62826701
ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate
CID 55003925
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 83192789
N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 62333500
methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 54942390
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119228849
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79280113
2-methyl-3-[methyl(thiane-4-carbonyl)amino]propanoic acid
CID 110837236

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid (CID 55008085) is 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid is CCN1CC(C(=O)N(C)CC(C)C(=O)O)CC1=O.
What is the InChIKey of 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is HWUVJDXEXFXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-14-7-9(5-10(14)15)11(16)13(3)6-8(2)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55008085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).