5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid

C12H18N2O3 — CID 79089982

IUPAC5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCc1ccc(C)n1NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-8(7-12(16)17)6-11(15)13-14-9(2)4-5-10(14)3/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyZQGACZYWIBAXJM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.68
Rot. Bonds5

About 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid

5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 79089982) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID79089982
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCc1ccc(C)n1NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-8(7-12(16)17)6-11(15)13-14-9(2)4-5-10(14)3/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyZQGACZYWIBAXJM-UHFFFAOYSA-N
XLogP1.68
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide
CID 81080558
3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
CID 45126635
4-[(2,5-dimethylpyrrol-1-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 79090946
5-(5-iodo-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 114257128
5-(2-diphenylphosphorylethylamino)-3-methyl-5-oxopentanoic acid
CID 166393763
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide
CID 79100317
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
CID 83005393
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide
CID 79101397

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid (CID 79089982) is 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid is Cc1ccc(C)n1NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is ZQGACZYWIBAXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(7-12(16)17)6-11(15)13-14-9(2)4-5-10(14)3/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid?
5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 79089982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).