2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid

C12H16FNO3 — CID 103224583

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H16FNO3/c1-14(11(8-17-2)12(15)16)7-9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyAMDCGGHWHDKQFS-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.36
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid

2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid (PubChem CID 103224583) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid
PubChem CID103224583
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(C)Cc1ccccc1F
InChIInChI=1S/C12H16FNO3/c1-14(11(8-17-2)12(15)16)7-9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyAMDCGGHWHDKQFS-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
CID 103224591
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224424
3-methoxy-2-[methoxy(naphthalen-1-ylmethyl)amino]propanoic acid
CID 150194054
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664
2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 18124307

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid (CID 103224583) is 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid is COCC(C(=O)O)N(C)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid?
The InChIKey is AMDCGGHWHDKQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-14(11(8-17-2)12(15)16)7-9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid?
2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103224583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).