2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid

C10H12FNO3 — CID 105466548

IUPAC2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
SMILESNCC(CF)(C(=O)O)c1ccccc1O
InChIInChI=1S/C10H12FNO3/c11-5-10(6-12,9(14)15)7-3-1-2-4-8(7)13/h1-4,13H,5-6,12H2,(H,14,15)
InChIKeyXAFGAEYTPBUJGW-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.64
Rot. Bonds4

About 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid

2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid (PubChem CID 105466548) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
PubChem CID105466548
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
SMILESNCC(CF)(C(=O)O)c1ccccc1O
InChIInChI=1S/C10H12FNO3/c11-5-10(6-12,9(14)15)7-3-1-2-4-8(7)13/h1-4,13H,5-6,12H2,(H,14,15)
InChIKeyXAFGAEYTPBUJGW-UHFFFAOYSA-N
XLogP0.64
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate
CID 105484464
2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84736706
2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
CID 106509167
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid
CID 106490661
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid
CID 106489296
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol
CID 84735412
2-(2-aminoethylamino)-2,2-bis(2-hydroxyphenyl)acetic acid;ethane-1,2-diamine
CID 67782760
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid (CID 105466548) is 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid is NCC(CF)(C(=O)O)c1ccccc1O.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid?
The InChIKey is XAFGAEYTPBUJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-5-10(6-12,9(14)15)7-3-1-2-4-8(7)13/h1-4,13H,5-6,12H2,(H,14,15).
What are the key properties of 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid?
2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 105466548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).