3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid

C11H14N2O5 — CID 11507115

IUPAC3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid
SMILESC=CCOC(=O)Nc1cn(C)c(C(=O)O)c1OC
InChIInChI=1S/C11H14N2O5/c1-4-5-18-11(16)12-7-6-13(2)8(10(14)15)9(7)17-3/h4,6H,1,5H2,2-3H3,(H,12,16)(H,14,15)
InChIKeyWRHQUJVCIYXCMU-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.47
Rot. Bonds5

About 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid

3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid (PubChem CID 11507115) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid
PubChem CID11507115
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid
SMILESC=CCOC(=O)Nc1cn(C)c(C(=O)O)c1OC
InChIInChI=1S/C11H14N2O5/c1-4-5-18-11(16)12-7-6-13(2)8(10(14)15)9(7)17-3/h4,6H,1,5H2,2-3H3,(H,12,16)(H,14,15)
InChIKeyWRHQUJVCIYXCMU-UHFFFAOYSA-N
XLogP1.47
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-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 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid?
The IUPAC name of 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid (CID 11507115) is 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid?
The canonical SMILES for 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid is C=CCOC(=O)Nc1cn(C)c(C(=O)O)c1OC.
What is the InChIKey of 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid?
The InChIKey is WRHQUJVCIYXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-4-5-18-11(16)12-7-6-13(2)8(10(14)15)9(7)17-3/h4,6H,1,5H2,2-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid?
3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylic acid is sourced from PubChem (CID 11507115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).