3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid

C11H14FNO3 — CID 117326599

IUPAC3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1cccc(C(CN)C(=O)O)c1F
InChIInChI=1S/C11H14FNO3/c1-16-6-7-3-2-4-8(10(7)12)9(5-13)11(14)15/h2-4,9H,5-6,13H2,1H3,(H,14,15)
InChIKeySQJMNHMNRUYMRP-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.10
Rot. Bonds5

About 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid

3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid (PubChem CID 117326599) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
PubChem CID117326599
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1cccc(C(CN)C(=O)O)c1F
InChIInChI=1S/C11H14FNO3/c1-16-6-7-3-2-4-8(10(7)12)9(5-13)11(14)15/h2-4,9H,5-6,13H2,1H3,(H,14,15)
InChIKeySQJMNHMNRUYMRP-UHFFFAOYSA-N
XLogP1.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117323019
3-amino-2-[2,6-difluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117364248
3-amino-2-[5-bromo-2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117491139
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255
3-amino-2-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117319647
1-[2-fluoro-3-(methoxymethyl)phenyl]ethanol
CID 117279865
3-[2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117302072
3-amino-2-[3-(difluoromethyl)-2-methoxyphenyl]propanoic acid
CID 117364253
3-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propanoic acid
CID 117491138
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
3-amino-2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117426345
3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 22339835

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid?
The IUPAC name of 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid (CID 117326599) is 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid is COCc1cccc(C(CN)C(=O)O)c1F.
What is the InChIKey of 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid?
The InChIKey is SQJMNHMNRUYMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-16-6-7-3-2-4-8(10(7)12)9(5-13)11(14)15/h2-4,9H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid?
3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 117326599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).