2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid

C10H12FNO3S — CID 117364578

IUPAC2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid
SMILESCOc1ccc(C(N)C(=O)O)c(F)c1SC
InChIInChI=1S/C10H12FNO3S/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4,8H,12H2,1-2H3,(H,13,14)
InChIKeyUYIRDOIGDZOEFE-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.64
Rot. Bonds4

About 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid

2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid (PubChem CID 117364578) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid
PubChem CID117364578
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid
SMILESCOc1ccc(C(N)C(=O)O)c(F)c1SC
InChIInChI=1S/C10H12FNO3S/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4,8H,12H2,1-2H3,(H,13,14)
InChIKeyUYIRDOIGDZOEFE-UHFFFAOYSA-N
XLogP1.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2,4-dimethoxy-3-methylsulfanylphenyl)acetic acid
CID 117396441
3-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propanoic acid
CID 117401591
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol
CID 117334317
2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
3-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)butanal
CID 117357983
4-amino-4-(2,4-dimethoxy-3-methylsulfanylphenyl)butanoic acid
CID 117459732
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
2-amino-2-[3,4-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117390856

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid (CID 117364578) is 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid is COc1ccc(C(N)C(=O)O)c(F)c1SC.
What is the InChIKey of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid?
The InChIKey is UYIRDOIGDZOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4,8H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid?
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid has a molecular weight of 245.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid is sourced from PubChem (CID 117364578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).