2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid

C11H15N3O5 — CID 67800478

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)c1ccnc(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-11(2,3)19-10(18)14(6-8(15)16)7-4-5-12-9(17)13-7/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,17)
InChIKeyLPPIOOSJBZFKDP-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.60
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid (PubChem CID 67800478) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
PubChem CID67800478
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)c1ccnc(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-11(2,3)19-10(18)14(6-8(15)16)7-4-5-12-9(17)13-7/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,17)
InChIKeyLPPIOOSJBZFKDP-UHFFFAOYSA-N
XLogP0.60
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid (CID 67800478) is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)c1ccnc(=O)[nH]1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
The InChIKey is LPPIOOSJBZFKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,3)19-10(18)14(6-8(15)16)7-4-5-12-9(17)13-7/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxo-1H-pyrimidin-6-yl)amino]acetic acid is sourced from PubChem (CID 67800478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).