2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid

C12H16FNO2 — CID 115218193

IUPAC2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
SMILESCC(C)(CNCC(=O)O)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-12(2,8-14-7-11(15)16)9-5-3-4-6-10(9)13/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyWFMAEKAOXLTFCH-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.78
Rot. Bonds5

About 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid

2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid (PubChem CID 115218193) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
PubChem CID115218193
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
SMILESCC(C)(CNCC(=O)O)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-12(2,8-14-7-11(15)16)9-5-3-4-6-10(9)13/h3-6,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyWFMAEKAOXLTFCH-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]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

N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
CID 115216581
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121053
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119183626
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685423
2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile
CID 115254196
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
N-[2-(2-fluorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444248

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid (CID 115218193) is 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid is CC(C)(CNCC(=O)O)c1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid?
The InChIKey is WFMAEKAOXLTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,8-14-7-11(15)16)9-5-3-4-6-10(9)13/h3-6,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid?
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid has a molecular weight of 225.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid is sourced from PubChem (CID 115218193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).