3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid

C12H14N2O4 — CID 54957131

IUPAC3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCN(C(=O)COc1cccnc1C(=O)O)C1CC1
InChIInChI=1S/C12H14N2O4/c1-14(8-4-5-8)10(15)7-18-9-3-2-6-13-11(9)12(16)17/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyAWDTUKOVIYETIT-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.78
Rot. Bonds5

About 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid

3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 54957131) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID54957131
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCN(C(=O)COc1cccnc1C(=O)O)C1CC1
InChIInChI=1S/C12H14N2O4/c1-14(8-4-5-8)10(15)7-18-9-3-2-6-13-11(9)12(16)17/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyAWDTUKOVIYETIT-UHFFFAOYSA-N
XLogP0.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-aminoquinolin-8-yl)oxy-N-cyclopropyl-N-methylacetamide
CID 61488649
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380366
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380296
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
CID 61488462
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid (CID 54957131) is 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid is CN(C(=O)COc1cccnc1C(=O)O)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is AWDTUKOVIYETIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-14(8-4-5-8)10(15)7-18-9-3-2-6-13-11(9)12(16)17/h2-3,6,8H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid?
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 54957131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).