2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid

C10H11ClFNO4 — CID 117413952

IUPAC2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
SMILESCOc1c(Cl)cc(C(N)C(=O)O)c(OC)c1F
InChIInChI=1S/C10H11ClFNO4/c1-16-8-4(7(13)10(14)15)3-5(11)9(17-2)6(8)12/h3,7H,13H2,1-2H3,(H,14,15)
InChIKeySIDMXMHDIQOEFA-UHFFFAOYSA-N
MW263.65 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid

2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid (PubChem CID 117413952) has the molecular formula C10H11ClFNO4 and a molecular weight of 263.65 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
PubChem CID117413952
Molecular FormulaC10H11ClFNO4
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
SMILESCOc1c(Cl)cc(C(N)C(=O)O)c(OC)c1F
InChIInChI=1S/C10H11ClFNO4/c1-16-8-4(7(13)10(14)15)3-5(11)9(17-2)6(8)12/h3,7H,13H2,1-2H3,(H,14,15)
InChIKeySIDMXMHDIQOEFA-UHFFFAOYSA-N
XLogP1.58
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
4-amino-4-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)butanoic acid
CID 117445104
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
3-amino-3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117445111
2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
CID 77129186
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid (CID 117413952) is 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid is COc1c(Cl)cc(C(N)C(=O)O)c(OC)c1F.
What is the InChIKey of 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid?
The InChIKey is SIDMXMHDIQOEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4/c1-16-8-4(7(13)10(14)15)3-5(11)9(17-2)6(8)12/h3,7H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid?
2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid has a molecular weight of 263.65 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117413952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).