3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

C11H12N2O6 — CID 61380447

IUPAC3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCCOC(=O)NC(=O)COc1cccnc1C(=O)O
InChIInChI=1S/C11H12N2O6/c1-2-18-11(17)13-8(14)6-19-7-4-3-5-12-9(7)10(15)16/h3-5H,2,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyASHIEDNJVUNUQY-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.43
Rot. Bonds5

About 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 61380447) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID61380447
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCCOC(=O)NC(=O)COc1cccnc1C(=O)O
InChIInChI=1S/C11H12N2O6/c1-2-18-11(17)13-8(14)6-19-7-4-3-5-12-9(7)10(15)16/h3-5H,2,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyASHIEDNJVUNUQY-UHFFFAOYSA-N
XLogP0.43
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
3-[2-(cyanomethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380031
ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
CID 7859274
3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380351
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014372
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60911052
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919723
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 61380447) is 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is CCOC(=O)NC(=O)COc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is ASHIEDNJVUNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c1-2-18-11(17)13-8(14)6-19-7-4-3-5-12-9(7)10(15)16/h3-5H,2,6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 268.22 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).