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

C12H15N3O5 — CID 81095512

IUPAC5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H15N3O5/c1-7(11(18)20-2)15-12(19)14-6-8-3-4-9(10(16)17)13-5-8/h3-5,7H,6H2,1-2H3,(H,16,17)(H2,14,15,19)
InChIKeyZOWNNNRSHWYFIL-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.14
Rot. Bonds5

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

5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 81095512) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
PubChem CID81095512
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H15N3O5/c1-7(11(18)20-2)15-12(19)14-6-8-3-4-9(10(16)17)13-5-8/h3-5,7H,6H2,1-2H3,(H,16,17)(H2,14,15,19)
InChIKeyZOWNNNRSHWYFIL-UHFFFAOYSA-N
XLogP0.14
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090541
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
5-[(pent-1-yn-3-ylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 114161561
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-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 112555795
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (CID 81095512) is 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is COC(=O)C(C)NC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is ZOWNNNRSHWYFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-7(11(18)20-2)15-12(19)14-6-8-3-4-9(10(16)17)13-5-8/h3-5,7H,6H2,1-2H3,(H,16,17)(H2,14,15,19).
What are the key properties of 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81095512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).