2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid

C12H21N3O3 — CID 116982127

IUPAC2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(C2CCN(C)C2)N(C)C1=O
InChIInChI=1S/C12H21N3O3/c1-8(11(16)17)15-7-10(14(3)12(15)18)9-4-5-13(2)6-9/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyDLLIBSDXDNNVQL-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.15
Rot. Bonds3

About 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid

2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116982127) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116982127
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(C2CCN(C)C2)N(C)C1=O
InChIInChI=1S/C12H21N3O3/c1-8(11(16)17)15-7-10(14(3)12(15)18)9-4-5-13(2)6-9/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyDLLIBSDXDNNVQL-UHFFFAOYSA-N
XLogP0.15
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116982127) is 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid is CC(C(=O)O)N1CC(C2CCN(C)C2)N(C)C1=O.
What is the InChIKey of 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is DLLIBSDXDNNVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(11(16)17)15-7-10(14(3)12(15)18)9-4-5-13(2)6-9/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116982127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).