2-amino-5-pyrrolidin-1-ylbenzoic acid

C11H14N2O2 — CID 23366730

IUPAC2-amino-5-pyrrolidin-1-ylbenzoic acid
SMILESNc1ccc(N2CCCC2)cc1C(=O)O
InChIInChI=1S/C11H14N2O2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)
InChIKeyPXDJWGTVWILAIK-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.57
Rot. Bonds2

About 2-amino-5-pyrrolidin-1-ylbenzoic acid

2-amino-5-pyrrolidin-1-ylbenzoic acid (PubChem CID 23366730) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-5-pyrrolidin-1-ylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-pyrrolidin-1-ylbenzoic acid
PubChem CID23366730
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-amino-5-pyrrolidin-1-ylbenzoic acid
SMILESNc1ccc(N2CCCC2)cc1C(=O)O
InChIInChI=1S/C11H14N2O2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)
InChIKeyPXDJWGTVWILAIK-UHFFFAOYSA-N
XLogP1.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
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 2-amino-5-pyrrolidin-1-ylbenzoic acid?
The IUPAC name of 2-amino-5-pyrrolidin-1-ylbenzoic acid (CID 23366730) is 2-amino-5-pyrrolidin-1-ylbenzoic acid.
What is the SMILES notation for 2-amino-5-pyrrolidin-1-ylbenzoic acid?
The canonical SMILES for 2-amino-5-pyrrolidin-1-ylbenzoic acid is Nc1ccc(N2CCCC2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-pyrrolidin-1-ylbenzoic acid?
The InChIKey is PXDJWGTVWILAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15).
What are the key properties of 2-amino-5-pyrrolidin-1-ylbenzoic acid?
2-amino-5-pyrrolidin-1-ylbenzoic acid has a molecular weight of 206.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-pyrrolidin-1-ylbenzoic acid is sourced from PubChem (CID 23366730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).