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

C11H12N2O2 — CID 162868318

IUPAC(2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESNc1ccccc1C1=CN[C@H](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)/t10-/m0/s1
InChIKeyKPYXDIVTPWLGHB-JTQLQIEISA-N
MW204.23 g/mol
LogP1.06
Rot. Bonds2

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

(2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 162868318) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID162868318
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESNc1ccccc1C1=CN[C@H](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)/t10-/m0/s1
InChIKeyKPYXDIVTPWLGHB-JTQLQIEISA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 162868318) is (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is Nc1ccccc1C1=CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is KPYXDIVTPWLGHB-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
(2S)-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 (2S)-4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 162868318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).