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

C15H24N2O3 — CID 82880759

IUPAC2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid
SMILESCCCCCCCCC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-9-13(18)17-12-10-16-11(2)14(12)15(19)20/h10,16H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXMZUXTQUGKGXSP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.71
Rot. Bonds9

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

2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid (PubChem CID 82880759) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid
PubChem CID82880759
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid
SMILESCCCCCCCCC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-9-13(18)17-12-10-16-11(2)14(12)15(19)20/h10,16H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXMZUXTQUGKGXSP-UHFFFAOYSA-N
XLogP3.71
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(3-phenoxypropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82877789
2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880342
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880580
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
2-(hexacosanoylamino)benzoic acid
CID 123304158
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
CID 20778606
4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82875969
2-methyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880336
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
N-(5-methyl-1H-pyrazol-3-yl)nonanamide
CID 47289748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid (CID 82880759) is 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid is CCCCCCCCC(=O)Nc1c[nH]c(C)c1C(=O)O.
What is the InChIKey of 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid?
The InChIKey is XMZUXTQUGKGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-9-13(18)17-12-10-16-11(2)14(12)15(19)20/h10,16H,3-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid?
2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).