2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid

C12H16FNO2 — CID 116959735

IUPAC2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid
SMILESCCC(C(=O)O)C(NC)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-3-8(12(15)16)11(14-2)9-6-4-5-7-10(9)13/h4-8,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyGUOMWWRXGHWRMZ-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.20
Rot. Bonds5

About 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid

2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid (PubChem CID 116959735) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid
PubChem CID116959735
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid
SMILESCCC(C(=O)O)C(NC)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-3-8(12(15)16)11(14-2)9-6-4-5-7-10(9)13/h4-8,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyGUOMWWRXGHWRMZ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959731
2-[(2-fluorophenyl)-(methylamino)methyl]-3-methylbutanoic acid
CID 116959808
2-[(3-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959736
2-[1H-indol-3-yl(methylamino)methyl]butanoic acid
CID 116959705
2-[dimethylamino-(2-fluorophenyl)methyl]butanoic acid
CID 116913127
2-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]butanoic acid
CID 116959679
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
CID 81380426
2-[methylamino(1H-pyrrol-3-yl)methyl]butanoic acid
CID 116959709
4-(2-fluorophenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953572
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
CID 112680220
methyl 2-[(2-bromophenyl)-(methylamino)methyl]butanoate
CID 116960444
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid (CID 116959735) is 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid is CCC(C(=O)O)C(NC)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid?
The InChIKey is GUOMWWRXGHWRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-8(12(15)16)11(14-2)9-6-4-5-7-10(9)13/h4-8,11,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid?
2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid has a molecular weight of 225.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid is sourced from PubChem (CID 116959735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).