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

C11H15NO4 — CID 117323079

IUPAC2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
SMILESCCOc1cc(OC)ccc1C(N)C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-16-9-6-7(15-2)4-5-8(9)10(12)11(13)14/h4-6,10H,3,12H2,1-2H3,(H,13,14)
InChIKeyJAJLQUDAKHNMCC-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.18
Rot. Bonds5

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

2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid (PubChem CID 117323079) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
PubChem CID117323079
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
SMILESCCOc1cc(OC)ccc1C(N)C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-16-9-6-7(15-2)4-5-8(9)10(12)11(13)14/h4-6,10H,3,12H2,1-2H3,(H,13,14)
InChIKeyJAJLQUDAKHNMCC-UHFFFAOYSA-N
XLogP1.18
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
3-amino-2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117350484
2-amino-2-(2-bromo-4-methoxyphenyl)acetic acid
CID 82623810
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
2-amino-2-(4-methoxy-2-methylsulfonylphenyl)acetic acid
CID 84806180
(2S)-2-amino-2-(6-ethoxy-1,3-benzodioxol-5-yl)acetic acid
CID 66510751
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid (CID 117323079) is 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid is CCOc1cc(OC)ccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid?
The InChIKey is JAJLQUDAKHNMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-16-9-6-7(15-2)4-5-8(9)10(12)11(13)14/h4-6,10H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid?
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 117323079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).