1-amino-2-propylpyrrole-3-carboxylic acid

C8H12N2O2 — CID 68572057

IUPAC1-amino-2-propylpyrrole-3-carboxylic acid
SMILESCCCc1c(C(=O)O)ccn1N
InChIInChI=1S/C8H12N2O2/c1-2-3-7-6(8(11)12)4-5-10(7)9/h4-5H,2-3,9H2,1H3,(H,11,12)
InChIKeyZSPBATFXHYQWFJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.85
Rot. Bonds3

About 1-amino-2-propylpyrrole-3-carboxylic acid

1-amino-2-propylpyrrole-3-carboxylic acid (PubChem CID 68572057) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-amino-2-propylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-propylpyrrole-3-carboxylic acid
PubChem CID68572057
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-amino-2-propylpyrrole-3-carboxylic acid
SMILESCCCc1c(C(=O)O)ccn1N
InChIInChI=1S/C8H12N2O2/c1-2-3-7-6(8(11)12)4-5-10(7)9/h4-5H,2-3,9H2,1H3,(H,11,12)
InChIKeyZSPBATFXHYQWFJ-UHFFFAOYSA-N
XLogP0.85
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-propylpyrrole-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 1-amino-2-propylpyrrole-3-carboxylic acid?
The IUPAC name of 1-amino-2-propylpyrrole-3-carboxylic acid (CID 68572057) is 1-amino-2-propylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-amino-2-propylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-amino-2-propylpyrrole-3-carboxylic acid is CCCc1c(C(=O)O)ccn1N.
What is the InChIKey of 1-amino-2-propylpyrrole-3-carboxylic acid?
The InChIKey is ZSPBATFXHYQWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-7-6(8(11)12)4-5-10(7)9/h4-5H,2-3,9H2,1H3,(H,11,12).
What are the key properties of 1-amino-2-propylpyrrole-3-carboxylic acid?
1-amino-2-propylpyrrole-3-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-propylpyrrole-3-carboxylic acid is sourced from PubChem (CID 68572057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).