[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C12H15N3O5 — CID 8785919

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)NC(=O)NC(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H15N3O5/c1-7(2)14-12(19)15-9(16)6-20-11(18)8-4-3-5-13-10(8)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H2,14,15,16,19)
InChIKeyINWVZAISZWBLJF-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.23
Rot. Bonds4

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 8785919) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID8785919
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)NC(=O)NC(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H15N3O5/c1-7(2)14-12(19)15-9(16)6-20-11(18)8-4-3-5-13-10(8)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H2,14,15,16,19)
InChIKeyINWVZAISZWBLJF-UHFFFAOYSA-N
XLogP-0.23
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2549602
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969611
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786029
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8785802
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602411
[2-(cycloheptylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 5062886
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-(4-tert-butylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2350817
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344823
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2419201

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 8785919) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is CC(C)NC(=O)NC(=O)COC(=O)c1ccc[nH]c1=O.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is INWVZAISZWBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-7(2)14-12(19)15-9(16)6-20-11(18)8-4-3-5-13-10(8)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H2,14,15,16,19).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 8785919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).