2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid

C15H22N2O5 — CID 166680320

IUPAC2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nn1ccc(=O)c(C(=O)O)c1C(C)(C)C
InChIInChI=1S/C15H22N2O5/c1-14(2,3)11-10(12(19)20)9(18)7-8-17(11)16-13(21)22-15(4,5)6/h7-8H,1-6H3,(H,16,21)(H,19,20)
InChIKeyPTYQZXXRHJSQTR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.32
Rot. Bonds2

About 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid

2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid (PubChem CID 166680320) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid
PubChem CID166680320
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nn1ccc(=O)c(C(=O)O)c1C(C)(C)C
InChIInChI=1S/C15H22N2O5/c1-14(2,3)11-10(12(19)20)9(18)7-8-17(11)16-13(21)22-15(4,5)6/h7-8H,1-6H3,(H,16,21)(H,19,20)
InChIKeyPTYQZXXRHJSQTR-UHFFFAOYSA-N
XLogP2.32
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-oxopyrazin-1-yl)carbamate
CID 141415282
tert-butyl N-[4-oxo-3-phenylmethoxy-2-(propan-2-ylcarbamoyl)-1-pyridinyl]carbamate
CID 168831893
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-2-carboxylate
CID 175780669
2,2,2-trifluoroethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464582
tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate
CID 163999089
tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
CID 144612195
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 134858884
3-bromo-2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 130755266
tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate
CID 175371073
tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
CID 177334878
tert-butyl N-(4-methoxypiperazin-1-yl)carbamate
CID 59857801
tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate
CID 144706555

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid (CID 166680320) is 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid is CC(C)(C)OC(=O)Nn1ccc(=O)c(C(=O)O)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid?
The InChIKey is PTYQZXXRHJSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-14(2,3)11-10(12(19)20)9(18)7-8-17(11)16-13(21)22-15(4,5)6/h7-8H,1-6H3,(H,16,21)(H,19,20).
What are the key properties of 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid?
2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 166680320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).