3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid

C11H14FNO2 — CID 43538546

IUPAC3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid
SMILESCc1ccc(F)cc1NCC(C)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(12)5-10(7)13-6-8(2)11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15)
InChIKeyMJLKHGZGQBDOAB-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.27
Rot. Bonds4

About 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid

3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid (PubChem CID 43538546) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid
PubChem CID43538546
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid
SMILESCc1ccc(F)cc1NCC(C)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(12)5-10(7)13-6-8(2)11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15)
InChIKeyMJLKHGZGQBDOAB-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Methylphenyl)amino]acetic acid
CID 242236
N-Phenyl-beta-alanine
CID 244082
3-acetamido-N-(4-fluoro-2-methylphenyl)propanamide
CID 2438691
3-[(2-Methylphenyl)carbamoylamino]propanoic acid
CID 28510811
3-[(3,5-Dimethylphenyl)amino]propanoic acid
CID 2434842
3-[(2-Methylphenyl)amino]propanoic acid
CID 2435377
2-{[3-(Trifluoromethyl)phenyl]amino}acetic acid
CID 247830
4-[(3-Fluoro-2-methylphenyl)amino]-4-oxobutanoic acid
CID 977429
3-p-Tolylamino-propionic acid
CID 2384526
3-(2-Carbamimidoylanilino)propanoic acid
CID 10703523
L-Alanine, N-(2,6-dimethylphenyl)-
CID 158332
3-[(3-Fluorophenyl)amino]propanoic acid
CID 17244968

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid?
The IUPAC name of 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid (CID 43538546) is 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid is Cc1ccc(F)cc1NCC(C)C(=O)O.
What is the InChIKey of 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid?
The InChIKey is MJLKHGZGQBDOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-3-4-9(12)5-10(7)13-6-8(2)11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid?
3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 43538546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).