3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid

C10H12FNO2 — CID 18526009

IUPAC3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)cc1F
InChIInChI=1S/C10H12FNO2/c1-6-2-3-7(4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyASFYTWUDZJKSFS-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.61
Rot. Bonds3

About 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid

3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid (PubChem CID 18526009) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
PubChem CID18526009
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)cc1F
InChIInChI=1S/C10H12FNO2/c1-6-2-3-7(4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyASFYTWUDZJKSFS-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
CID 135367196
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid
CID 117301399
(3S)-3-amino-3-(4-fluoro-3-iodophenyl)propanoic acid
CID 131224032
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
(3R)-3-amino-3-(4-bromo-3-methylphenyl)propanoic acid;hydrochloride
CID 162344228
3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
CID 79021977
3-amino-3-(3-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117396464
(3S)-3-amino-3-[3-(2,6-dimethylphenyl)-5-fluorophenyl]propanoic acid
CID 135366884
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid (CID 18526009) is 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid is Cc1ccc(C(N)CC(=O)O)cc1F.
What is the InChIKey of 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid?
The InChIKey is ASFYTWUDZJKSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6-2-3-7(4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid?
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid is sourced from PubChem (CID 18526009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).