3-(5-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid

HCID 15160752
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Basic information

Standard SMILES
Cc1c(CCC(=O)O)c[nH]c1C=O
InChIKey
WEMKCIPNUIQYSM-UHFFFAOYSA-N
Molecular formula
C9H11NO3
Average molar mass
181.19 g/mol

Names & identifiers

Preferred name
3-(5-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid
IUPAC
3-(5-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid

Names & synonyms

1431-20-53-(5-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acidSCHEMBL4405135WEMKCIPNUIQYSM-UHFFFAOYSA-N4-(2-Carboxyethyl)-2-formyl-3-methylpyrrole

Database identifiers

PubChem CID
15160752

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
70.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Related reactions

93 records
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Linked notes

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