2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid

C15H17N3O2 — CID 22936282

IUPAC2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESNc1[nH]c(-c2ccccc2N2CCCC2)cc1C(=O)O
InChIInChI=1S/C15H17N3O2/c16-14-11(15(19)20)9-12(17-14)10-5-1-2-6-13(10)18-7-3-4-8-18/h1-2,5-6,9,17H,3-4,7-8,16H2,(H,19,20)
InChIKeyCRLCXYPIYQSXSP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid

2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 22936282) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID22936282
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESNc1[nH]c(-c2ccccc2N2CCCC2)cc1C(=O)O
InChIInChI=1S/C15H17N3O2/c16-14-11(15(19)20)9-12(17-14)10-5-1-2-6-13(10)18-7-3-4-8-18/h1-2,5-6,9,17H,3-4,7-8,16H2,(H,19,20)
InChIKeyCRLCXYPIYQSXSP-UHFFFAOYSA-N
XLogP2.56
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-(2-pyrrolidin-1-ylphenyl)-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

Related Compounds

2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82364972
3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
CID 79679992
5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 138542816
2-amino-5-(4-cyanophenyl)-1H-pyrrole-3-carboxylic acid
CID 141061982
4-(2-piperidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117358181
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
5-piperidin-1-yl-1H-cyclopenta[b]pyridine
CID 57251948
3-phenyl-4-pyrrolidin-1-ylaniline
CID 18371751
4-cyano-2-pyrrolidin-1-ylbenzoic acid
CID 68804373
5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid
CID 82365008
2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
3-(2-piperidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117360434

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid (CID 22936282) is 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid is Nc1[nH]c(-c2ccccc2N2CCCC2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is CRLCXYPIYQSXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-14-11(15(19)20)9-12(17-14)10-5-1-2-6-13(10)18-7-3-4-8-18/h1-2,5-6,9,17H,3-4,7-8,16H2,(H,19,20).
What are the key properties of 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid?
2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 22936282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).