2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid

C12H17N3O3 — CID 116982087

IUPAC2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
SMILESCN1C(=O)N(C(C)(C)C(=O)O)CC1c1ccc[nH]1
InChIInChI=1S/C12H17N3O3/c1-12(2,10(16)17)15-7-9(14(3)11(15)18)8-5-4-6-13-8/h4-6,9,13H,7H2,1-3H3,(H,16,17)
InChIKeyHECRFQREDUMSAO-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid

2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid (PubChem CID 116982087) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
PubChem CID116982087
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
SMILESCN1C(=O)N(C(C)(C)C(=O)O)CC1c1ccc[nH]1
InChIInChI=1S/C12H17N3O3/c1-12(2,10(16)17)15-7-9(14(3)11(15)18)8-5-4-6-13-8/h4-6,9,13H,7H2,1-3H3,(H,16,17)
InChIKeyHECRFQREDUMSAO-UHFFFAOYSA-N
XLogP1.29
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-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

Related Compounds

2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982182
1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981336
3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981486
2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 116982096
3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981847
1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 68718129
2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
CID 115127877
benzyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxylate
CID 141374055
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
1-methyl-5-(1H-pyrrol-2-yl)piperazin-2-one
CID 83696038
tert-butyl (3S)-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 96556479
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid (CID 116982087) is 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid is CN1C(=O)N(C(C)(C)C(=O)O)CC1c1ccc[nH]1.
What is the InChIKey of 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
The InChIKey is HECRFQREDUMSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,10(16)17)15-7-9(14(3)11(15)18)8-5-4-6-13-8/h4-6,9,13H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116982087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).