2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid

C11H16N2O3 — CID 81369355

IUPAC2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCn1cccc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16)7-12-9(14)8-5-4-6-13(8)3/h4-6H,7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyYDIYZZFPTYHSGW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.87
Rot. Bonds4

About 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 81369355) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID81369355
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCn1cccc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-11(2,10(15)16)7-12-9(14)8-5-4-6-13(8)3/h4-6H,7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyYDIYZZFPTYHSGW-UHFFFAOYSA-N
XLogP0.87
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]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-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701236
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 113322191
N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178490
2,2-dimethyl-3-[(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510668
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 12948787
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119249467
1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 68779216

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (CID 81369355) is 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid is Cn1cccc1C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is YDIYZZFPTYHSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,10(15)16)7-12-9(14)8-5-4-6-13(8)3/h4-6H,7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81369355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).