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

C10H14N2O3 — CID 58328223

IUPAC3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCCCNC(=O)c1c[nH]c(C(=O)O)c1C
InChIInChI=1S/C10H14N2O3/c1-3-4-11-9(13)7-5-12-8(6(7)2)10(14)15/h5,12H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyNMZNBJZGAPZMOI-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.16
Rot. Bonds4

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

3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 58328223) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID58328223
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCCCNC(=O)c1c[nH]c(C(=O)O)c1C
InChIInChI=1S/C10H14N2O3/c1-3-4-11-9(13)7-5-12-8(6(7)2)10(14)15/h5,12H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyNMZNBJZGAPZMOI-UHFFFAOYSA-N
XLogP1.16
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolostatin
CID 5353914
4-methyl-1H-pyrrole-2-carboxylic acid
CID 14643173
3,4-Dimethyl-1H-pyrrole-2-carboxylic acid
CID 587210
[(2S)-3,3-dimethylbutan-2-yl] 5-(2-methoxyethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 44430063
Makaluvic Acid A
CID 10726460
Makaluvic Acid C
CID 11401113
4-acetyl-1H-pyrrole-2-carboxylic acid
CID 2765981
4-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride
CID 69943157
makaluvic acid B
CID 10679337
Diethyl 3-methyl-1h-pyrrole-2,4-dicarboxylate
CID 226731
4-carbamoyl-1-methyl-1H-pyrrole-2-carboxylic acid
CID 10352070
4-Formyl-1H-pyrrole-2-carboxylic acid
CID 13780813

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid (CID 58328223) is 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid is CCCNC(=O)c1c[nH]c(C(=O)O)c1C.
What is the InChIKey of 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is NMZNBJZGAPZMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-4-11-9(13)7-5-12-8(6(7)2)10(14)15/h5,12H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid?
3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propylcarbamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 58328223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).