2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid

C13H18N2O5 — CID 22943384

IUPAC2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
SMILESCN(C(=O)OC(C)(C)C)c1cccn(CC(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)14(4)9-6-5-7-15(11(9)18)8-10(16)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyVHGSDURQBOYUJZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.30
Rot. Bonds3

About 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid

2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 22943384) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
PubChem CID22943384
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
SMILESCN(C(=O)OC(C)(C)C)c1cccn(CC(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)14(4)9-6-5-7-15(11(9)18)8-10(16)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyVHGSDURQBOYUJZ-UHFFFAOYSA-N
XLogP1.30
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid (CID 22943384) is 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid is CN(C(=O)OC(C)(C)C)c1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is VHGSDURQBOYUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)14(4)9-6-5-7-15(11(9)18)8-10(16)17/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 22943384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).