methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate

C12H16FNO3 — CID 107660515

IUPACmethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
SMILESCOC(=O)C(N)CCOc1cccc(C)c1F
InChIInChI=1S/C12H16FNO3/c1-8-4-3-5-10(11(8)13)17-7-6-9(14)12(15)16-2/h3-5,9H,6-7,14H2,1-2H3
InChIKeyGKBFWXGPXGSUMC-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.40
Rot. Bonds5

About methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate

methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate (PubChem CID 107660515) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
PubChem CID107660515
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
SMILESCOC(=O)C(N)CCOc1cccc(C)c1F
InChIInChI=1S/C12H16FNO3/c1-8-4-3-5-10(11(8)13)17-7-6-9(14)12(15)16-2/h3-5,9H,6-7,14H2,1-2H3
InChIKeyGKBFWXGPXGSUMC-UHFFFAOYSA-N
XLogP1.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate 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

ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
methyl 2-amino-4-(3-methyl-2-nitrophenoxy)butanoate
CID 55143183
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
methyl 2-amino-4-(2,5-dimethylphenoxy)butanoate
CID 63040839
methyl 4-(2-fluoro-3-methylphenoxy)butanoate
CID 103988294
2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
CID 107660548
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
6-(2-fluoro-3-methylphenoxy)hexan-2-ol
CID 107660302
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
6-(2-fluoro-3-methylphenoxy)hexanoic acid
CID 107655017
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate?
The IUPAC name of methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate (CID 107660515) is methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate.
What is the SMILES notation for methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate?
The canonical SMILES for methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate is COC(=O)C(N)CCOc1cccc(C)c1F.
What is the InChIKey of methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate?
The InChIKey is GKBFWXGPXGSUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8-4-3-5-10(11(8)13)17-7-6-9(14)12(15)16-2/h3-5,9H,6-7,14H2,1-2H3.
What are the key properties of methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate?
methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate has a molecular weight of 241.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate is sourced from PubChem (CID 107660515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).