5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid

C13H17N3O5 — CID 81090541

IUPAC5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O5/c1-3-21-12(19)8(2)16-13(20)15-7-9-4-5-10(11(17)18)14-6-9/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H2,15,16,20)
InChIKeyXCNPNZLVCKZDJW-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.53
Rot. Bonds6

About 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid

5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 81090541) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
PubChem CID81090541
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O5/c1-3-21-12(19)8(2)16-13(20)15-7-9-4-5-10(11(17)18)14-6-9/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H2,15,16,20)
InChIKeyXCNPNZLVCKZDJW-UHFFFAOYSA-N
XLogP0.53
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
5-[(pent-1-yn-3-ylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 114161561
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride
CID 156739311
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (CID 81090541) is 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is CCOC(=O)C(C)NC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is XCNPNZLVCKZDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-3-21-12(19)8(2)16-13(20)15-7-9-4-5-10(11(17)18)14-6-9/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H2,15,16,20).
What are the key properties of 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).