2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid

C14H14N2O3 — CID 60988228

IUPAC2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
SMILESNc1ccc(OCCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C14H14N2O3/c15-13-5-4-11(9-12(13)14(17)18)19-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8,15H2,(H,17,18)
InChIKeyURFFMBORURGKHT-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid

2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid (PubChem CID 60988228) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
PubChem CID60988228
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
SMILESNc1ccc(OCCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C14H14N2O3/c15-13-5-4-11(9-12(13)14(17)18)19-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8,15H2,(H,17,18)
InChIKeyURFFMBORURGKHT-UHFFFAOYSA-N
XLogP1.98
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-(2-pyridin-2-ylethoxy)aniline
CID 63678212
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
2-pyridin-2-ylethyl 2-aminobenzoate
CID 61323549
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-pyridin-2-ylethyl 3-(3-aminophenoxy)propanoate
CID 61315045
3-chloro-2-(2-pyridin-2-ylethoxy)pyridine-4-carboxylic acid
CID 107063375
2-amino-5-heptoxybenzoic acid
CID 54888058
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid?
The IUPAC name of 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid (CID 60988228) is 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid is Nc1ccc(OCCc2ccccn2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid?
The InChIKey is URFFMBORURGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-13-5-4-11(9-12(13)14(17)18)19-8-6-10-3-1-2-7-16-10/h1-5,7,9H,6,8,15H2,(H,17,18).
What are the key properties of 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid?
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid is sourced from PubChem (CID 60988228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).