2-(4-amino-5-fluoro-2-methylphenyl)acetic acid

C9H10FNO2 — CID 91755197

IUPAC2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
SMILESCc1cc(N)c(F)cc1CC(=O)O
InChIInChI=1S/C9H10FNO2/c1-5-2-8(11)7(10)3-6(5)4-9(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyBNWHCIGRANDMDJ-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.34
Rot. Bonds2

About 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid

2-(4-amino-5-fluoro-2-methylphenyl)acetic acid (PubChem CID 91755197) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
PubChem CID91755197
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
SMILESCc1cc(N)c(F)cc1CC(=O)O
InChIInChI=1S/C9H10FNO2/c1-5-2-8(11)7(10)3-6(5)4-9(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyBNWHCIGRANDMDJ-UHFFFAOYSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-amino-5-fluoro-2-methylphenyl)acetate
CID 131302688
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
CID 171031868
2-[7,10-bis(carboxymethyl)-3,6,11-trimethyltriphenylen-2-yl]acetic acid
CID 134370983
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
CID 19763734
1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
CID 171018097
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-(3,4-diamino-5-methylphenyl)acetic acid
CID 171013665

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid?
The IUPAC name of 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid (CID 91755197) is 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid is Cc1cc(N)c(F)cc1CC(=O)O.
What is the InChIKey of 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid?
The InChIKey is BNWHCIGRANDMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5-2-8(11)7(10)3-6(5)4-9(12)13/h2-3H,4,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid?
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid has a molecular weight of 183.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-fluoro-2-methylphenyl)acetic acid is sourced from PubChem (CID 91755197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).