2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid

C12H16N2O5 — CID 154883284

IUPAC2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-11(18)13-8-4-5-9(15)14(6-8)7-10(16)17/h4-6H,7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyPBOUKOHARUIANO-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.28
Rot. Bonds3

About 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid

2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 154883284) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid
PubChem CID154883284
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-11(18)13-8-4-5-9(15)14(6-8)7-10(16)17/h4-6H,7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyPBOUKOHARUIANO-UHFFFAOYSA-N
XLogP1.28
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid (CID 154883284) is 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid is CC(C)(C)OC(=O)Nc1ccc(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is PBOUKOHARUIANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,3)19-11(18)13-8-4-5-9(15)14(6-8)7-10(16)17/h4-6H,7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 154883284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).