5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid

C7H8N2O3 — CID 18179721

IUPAC5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c[nH]c1C(N)=O
InChIInChI=1S/C7H8N2O3/c1-3-4(7(11)12)2-9-5(3)6(8)10/h2,9H,1H3,(H2,8,10)(H,11,12)
InChIKeyPIBMHIQDNKPWAY-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.12
Rot. Bonds2

About 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid

5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 18179721) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID18179721
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c[nH]c1C(N)=O
InChIInChI=1S/C7H8N2O3/c1-3-4(7(11)12)2-9-5(3)6(8)10/h2,9H,1H3,(H2,8,10)(H,11,12)
InChIKeyPIBMHIQDNKPWAY-UHFFFAOYSA-N
XLogP0.12
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid (CID 18179721) is 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid is Cc1c(C(=O)O)c[nH]c1C(N)=O.
What is the InChIKey of 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is PIBMHIQDNKPWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-4(7(11)12)2-9-5(3)6(8)10/h2,9H,1H3,(H2,8,10)(H,11,12).
What are the key properties of 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid?
5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 18179721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).