1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid

C11H14N2O3 — CID 12011688

IUPAC1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1ccc(N2CCC(O)C2C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c12-7-1-3-8(4-2-7)13-6-5-9(14)10(13)11(15)16/h1-4,9-10,14H,5-6,12H2,(H,15,16)
InChIKeyJFAWEEBGGZZPIP-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.29
Rot. Bonds2

About 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid

1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 12011688) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID12011688
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1ccc(N2CCC(O)C2C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c12-7-1-3-8(4-2-7)13-6-5-9(14)10(13)11(15)16/h1-4,9-10,14H,5-6,12H2,(H,15,16)
InChIKeyJFAWEEBGGZZPIP-UHFFFAOYSA-N
XLogP0.29
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid (CID 12011688) is 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid is Nc1ccc(N2CCC(O)C2C(=O)O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JFAWEEBGGZZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-7-1-3-8(4-2-7)13-6-5-9(14)10(13)11(15)16/h1-4,9-10,14H,5-6,12H2,(H,15,16).
What are the key properties of 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid?
1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12011688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).