4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C11H12N2O2 — CID 10035803

IUPAC4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESNc1ccccc1C1=CNC(C(=O)O)C1
InChIInChI=1S/C11H12N2O2/c12-9-4-2-1-3-8(9)7-5-10(11(14)15)13-6-7/h1-4,6,10,13H,5,12H2,(H,14,15)
InChIKeyKPYXDIVTPWLGHB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.06
Rot. Bonds2

About 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 10035803) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID10035803
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESNc1ccccc1C1=CNC(C(=O)O)C1
InChIInChI=1S/C11H12N2O2/c12-9-4-2-1-3-8(9)7-5-10(11(14)15)13-6-7/h1-4,6,10,13H,5,12H2,(H,14,15)
InChIKeyKPYXDIVTPWLGHB-UHFFFAOYSA-N
XLogP1.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-aminophenyl)-2,3-dihydro-1H-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

Related Compounds

4-Aminophenylalanine
CID 151001
Indoline-2-carboxylic acid, (S)-
CID 2733920
p-Amino-DL-phenylalanine hydrate
CID 95174
3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 3124342
alpha-(Phenylamino)benzeneacetic acid
CID 19375
Indoline-2-carboxylic acid, (R)-
CID 6928266
Indoline-2-carboxylic acid
CID 86074
2-Amino-3-(2-guanidino-phenyl)-propionic acid
CID 10398629
p-Azido-L-phenylalanine
CID 3080772
(2S)-3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CID 2761482
p-amino-D-phenylalanine
CID 1268124
4-(2-Aminophenyl)butanoic acid
CID 417330

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 10035803) is 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is Nc1ccccc1C1=CNC(C(=O)O)C1.
What is the InChIKey of 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is KPYXDIVTPWLGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-9-4-2-1-3-8(9)7-5-10(11(14)15)13-6-7/h1-4,6,10,13H,5,12H2,(H,14,15).
What are the key properties of 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 10035803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).