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

C13H19N3O3 — CID 116982182

IUPAC2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
SMILESCN1C(=O)N(CC(C)(C)C(=O)O)CC1c1ccc[nH]1
InChIInChI=1S/C13H19N3O3/c1-13(2,11(17)18)8-16-7-10(15(3)12(16)19)9-5-4-6-14-9/h4-6,10,14H,7-8H2,1-3H3,(H,17,18)
InChIKeyLDZQUQPYLWIKQU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.53
Rot. Bonds4

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

2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid (PubChem CID 116982182) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
PubChem CID116982182
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
SMILESCN1C(=O)N(CC(C)(C)C(=O)O)CC1c1ccc[nH]1
InChIInChI=1S/C13H19N3O3/c1-13(2,11(17)18)8-16-7-10(15(3)12(16)19)9-5-4-6-14-9/h4-6,10,14H,7-8H2,1-3H3,(H,17,18)
InChIKeyLDZQUQPYLWIKQU-UHFFFAOYSA-N
XLogP1.53
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982087
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
3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981847
3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid
CID 79621871
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981404
2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979749
2,2-dimethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanoic acid
CID 79621763
1-(2-hydroxyethyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116981951
benzyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxylate
CID 141374055
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid (CID 116982182) is 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid is CN1C(=O)N(CC(C)(C)C(=O)O)CC1c1ccc[nH]1.
What is the InChIKey of 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
The InChIKey is LDZQUQPYLWIKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,11(17)18)8-16-7-10(15(3)12(16)19)9-5-4-6-14-9/h4-6,10,14H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid?
2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116982182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).