2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid

C10H12FNO3 — CID 84679537

IUPAC2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
SMILESCCOc1ccc(C(N)C(=O)O)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-2-15-6-3-4-7(8(11)5-6)9(12)10(13)14/h3-5,9H,2,12H2,1H3,(H,13,14)
InChIKeyUVTCZGYKTMZOBC-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid

2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid (PubChem CID 84679537) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
PubChem CID84679537
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
SMILESCCOc1ccc(C(N)C(=O)O)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-2-15-6-3-4-7(8(11)5-6)9(12)10(13)14/h3-5,9H,2,12H2,1H3,(H,13,14)
InChIKeyUVTCZGYKTMZOBC-UHFFFAOYSA-N
XLogP1.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-amino-2-(4-amino-2-fluorophenyl)acetic acid
CID 77128000
3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid
CID 117383667
(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
CID 170818159
(2S)-2-amino-2-(5-butoxy-2-hydroxyphenyl)acetic acid
CID 66512953
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid (CID 84679537) is 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid is CCOc1ccc(C(N)C(=O)O)c(F)c1.
What is the InChIKey of 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid?
The InChIKey is UVTCZGYKTMZOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-15-6-3-4-7(8(11)5-6)9(12)10(13)14/h3-5,9H,2,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid?
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid has a molecular weight of 213.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid is sourced from PubChem (CID 84679537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).