2-amino-5-methoxycarbonylpyridine-3-carboxylic acid

C8H8N2O4 — CID 130066862

IUPAC2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C8H8N2O4/c1-14-8(13)4-2-5(7(11)12)6(9)10-3-4/h2-3H,1H3,(H2,9,10)(H,11,12)
InChIKeyDAWYZBBGVUEPSO-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.15
Rot. Bonds2

About 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid

2-amino-5-methoxycarbonylpyridine-3-carboxylic acid (PubChem CID 130066862) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
PubChem CID130066862
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C8H8N2O4/c1-14-8(13)4-2-5(7(11)12)6(9)10-3-4/h2-3H,1H3,(H2,9,10)(H,11,12)
InChIKeyDAWYZBBGVUEPSO-UHFFFAOYSA-N
XLogP0.15
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
CID 175275086
(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
CID 169224427
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
CID 143984971
methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800288
2-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170501228
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid (CID 130066862) is 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid is COC(=O)c1cnc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is DAWYZBBGVUEPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-14-8(13)4-2-5(7(11)12)6(9)10-3-4/h2-3H,1H3,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid?
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 130066862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).