2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid

C16H18N2O3 — CID 60831784

IUPAC2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccc(C)n2C)cc1
InChIInChI=1S/C16H18N2O3/c1-11-4-7-13(8-5-11)18(10-15(19)20)16(21)14-9-6-12(2)17(14)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyGBNOMJIQMFZDEX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.37
Rot. Bonds4

About 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid

2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid (PubChem CID 60831784) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
PubChem CID60831784
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccc(C)n2C)cc1
InChIInChI=1S/C16H18N2O3/c1-11-4-7-13(8-5-11)18(10-15(19)20)16(21)14-9-6-12(2)17(14)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyGBNOMJIQMFZDEX-UHFFFAOYSA-N
XLogP2.37
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
CID 66126674
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid
CID 60831444
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
CID 66126888
2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60832479
2-(N-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-4-methylanilino)acetic acid
CID 170715918
2-[4-methyl-N-[3-(triazol-1-yl)propanoyl]anilino]acetic acid
CID 60832122
2-(N-[(E)-but-2-enoyl]-4-methylanilino)acetic acid
CID 54926318

Frequently Asked Questions

What is the IUPAC name of 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid (CID 60831784) is 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)c2ccc(C)n2C)cc1.
What is the InChIKey of 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid?
The InChIKey is GBNOMJIQMFZDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-4-7-13(8-5-11)18(10-15(19)20)16(21)14-9-6-12(2)17(14)3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid?
2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid is sourced from PubChem (CID 60831784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).