2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid

C9H12N2O3 — CID 83879712

IUPAC2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
SMILESCCOc1cnccc1C(N)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-2-14-7-5-11-4-3-6(7)8(10)9(12)13/h3-5,8H,2,10H2,1H3,(H,12,13)
InChIKeyCIZSSQMLASXSKS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.56
Rot. Bonds4

About 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid

2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid (PubChem CID 83879712) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
PubChem CID83879712
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
SMILESCCOc1cnccc1C(N)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-2-14-7-5-11-4-3-6(7)8(10)9(12)13/h3-5,8H,2,10H2,1H3,(H,12,13)
InChIKeyCIZSSQMLASXSKS-UHFFFAOYSA-N
XLogP0.56
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514
2-amino-2-(3-amino-4-pyridinyl)acetic acid
CID 55292640
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
CID 121230185
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid
CID 84678223
ethyl 3-(4-ethoxy-3-pyridinyl)-3-oxopropanoate
CID 131852523
3-(4-ethoxy-3-pyridinyl)propanoic acid
CID 84666014
(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069813

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid (CID 83879712) is 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid is CCOc1cnccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid?
The InChIKey is CIZSSQMLASXSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-14-7-5-11-4-3-6(7)8(10)9(12)13/h3-5,8H,2,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid?
2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid is sourced from PubChem (CID 83879712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).