2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid

C12H16FNO3 — CID 55135242

IUPAC2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
SMILESCOCCNC(C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-12(11(15)16,14-6-7-17-2)9-4-3-5-10(13)8-9/h3-5,8,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyZITAJENMTSZQRT-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.36
Rot. Bonds6

About 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid

2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid (PubChem CID 55135242) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
PubChem CID55135242
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
SMILESCOCCNC(C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-12(11(15)16,14-6-7-17-2)9-4-3-5-10(13)8-9/h3-5,8,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyZITAJENMTSZQRT-UHFFFAOYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
CID 114991216
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
CID 114872011
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid (CID 55135242) is 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid is COCCNC(C)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid?
The InChIKey is ZITAJENMTSZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(11(15)16,14-6-7-17-2)9-4-3-5-10(13)8-9/h3-5,8,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid?
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid is sourced from PubChem (CID 55135242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).