2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide

C9H11BrFNO3 — CID 117449300

IUPAC2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
SMILESBr.COc1c(F)cccc1C(N)C(=O)O
InChIInChI=1S/C9H10FNO3.BrH/c1-14-8-5(7(11)9(12)13)3-2-4-6(8)10;/h2-4,7H,11H2,1H3,(H,12,13);1H
InChIKeyQTXDNKLRTRFVRM-UHFFFAOYSA-N
MW280.09 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide

2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide (PubChem CID 117449300) has the molecular formula C9H11BrFNO3 and a molecular weight of 280.09 g/mol. Its IUPAC name is 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide.

Molecular Properties

Compound Name2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
PubChem CID117449300
Molecular FormulaC9H11BrFNO3
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
SMILESBr.COc1c(F)cccc1C(N)C(=O)O
InChIInChI=1S/C9H10FNO3.BrH/c1-14-8-5(7(11)9(12)13)3-2-4-6(8)10;/h2-4,7H,11H2,1H3,(H,12,13);1H
InChIKeyQTXDNKLRTRFVRM-UHFFFAOYSA-N
XLogP1.50
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84691082
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2-amino-2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]acetic acid
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sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
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2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
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(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
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2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide?
The IUPAC name of 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide (CID 117449300) is 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide.
What is the SMILES notation for 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide?
The canonical SMILES for 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide is Br.COc1c(F)cccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide?
The InChIKey is QTXDNKLRTRFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3.BrH/c1-14-8-5(7(11)9(12)13)3-2-4-6(8)10;/h2-4,7H,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide?
2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide has a molecular weight of 280.09 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide is sourced from PubChem (CID 117449300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).