5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid

C11H14N4O4 — CID 81096531

IUPAC5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCN(CC(N)=O)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H14N4O4/c1-15(6-9(12)16)11(19)14-5-7-2-3-8(10(17)18)13-4-7/h2-4H,5-6H2,1H3,(H2,12,16)(H,14,19)(H,17,18)
InChIKeySKOFOVZVYONNGC-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.59
Rot. Bonds5

About 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81096531) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81096531
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCN(CC(N)=O)C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H14N4O4/c1-15(6-9(12)16)11(19)14-5-7-2-3-8(10(17)18)13-4-7/h2-4H,5-6H2,1H3,(H2,12,16)(H,14,19)(H,17,18)
InChIKeySKOFOVZVYONNGC-UHFFFAOYSA-N
XLogP-0.59
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095837
5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096371
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
5-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095741
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81096531) is 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid is CN(CC(N)=O)C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is SKOFOVZVYONNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-15(6-9(12)16)11(19)14-5-7-2-3-8(10(17)18)13-4-7/h2-4H,5-6H2,1H3,(H2,12,16)(H,14,19)(H,17,18).
What are the key properties of 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81096531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).