4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid

C11H16N2O3 — CID 82880578

IUPAC4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)C(C)(C)C)c1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-6-8(9(14)15)7(5-12-6)13-10(16)11(2,3)4/h5,12H,1-4H3,(H,13,16)(H,14,15)
InChIKeyRDWDEZISGLEYRC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.01
Rot. Bonds2

About 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid

4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82880578) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82880578
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)C(C)(C)C)c1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-6-8(9(14)15)7(5-12-6)13-10(16)11(2,3)4/h5,12H,1-4H3,(H,13,16)(H,14,15)
InChIKeyRDWDEZISGLEYRC-UHFFFAOYSA-N
XLogP2.01
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic 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-4-(2,2,3,3-tetrafluoropropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 114032541
2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 102921653
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880580
2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880342
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880507
2-methyl-4-[(3,4,5-trifluorobenzoyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82876120
2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82880759
2-methyl-4-(3-phenylprop-2-ynoylamino)-1H-pyrrole-3-carboxylic acid
CID 82881147
4-[(5-ethylfuran-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880744
4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881385
4-[(2,4-dihydroxybenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880433

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82880578) is 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)C(C)(C)C)c1C(=O)O.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is RDWDEZISGLEYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-8(9(14)15)7(5-12-6)13-10(16)11(2,3)4/h5,12H,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).