2-(2-aminophenyl)acetic acid

C8H9NO2 — CID 583776

IUPAC2-(2-aminophenyl)acetic acid
SMILESNc1ccccc1CC(=O)O
InChIInChI=1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKeyKHMNCHDUSFCTGK-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-aminophenyl)acetic acid

2-(2-aminophenyl)acetic acid (PubChem CID 583776) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(2-aminophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-aminophenyl)acetic acid
PubChem CID583776
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(2-aminophenyl)acetic acid
SMILESNc1ccccc1CC(=O)O
InChIInChI=1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKeyKHMNCHDUSFCTGK-UHFFFAOYSA-N
XLogP0.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Aminobenzoic Acid
CID 7419
4-Aminophenylacetic acid
CID 14533
4-Aminophenylalanine
CID 151001
(2-Nitrophenyl)acetic acid
CID 77337
3-Amino-4-methylbenzoic acid
CID 75568
p-Amino-DL-phenylalanine hydrate
CID 95174
3-(4-Aminophenyl)propionic acid
CID 75451
4-Aminohydratropic acid
CID 43026
2-Anilinophenylacetic acid
CID 854057
2-(4-Aminophenyl)butanoic acid
CID 34655
4-(4-Aminophenyl)butanoic acid
CID 27049
3-Amino-2-methylbenzoic acid
CID 2733699

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)acetic acid?
The IUPAC name of 2-(2-aminophenyl)acetic acid (CID 583776) is 2-(2-aminophenyl)acetic acid.
What is the SMILES notation for 2-(2-aminophenyl)acetic acid?
The canonical SMILES for 2-(2-aminophenyl)acetic acid is Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-(2-aminophenyl)acetic acid?
The InChIKey is KHMNCHDUSFCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11).
What are the key properties of 2-(2-aminophenyl)acetic acid?
2-(2-aminophenyl)acetic acid has a molecular weight of 151.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)acetic acid is sourced from PubChem (CID 583776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).