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

C13H18N2O5 — CID 153367928

IUPAC2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)nc1
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-10(11(16)17)9-6-5-8(19-4)7-14-9/h5-7,10H,1-4H3,(H,15,18)(H,16,17)
InChIKeyTVBFPSYXQPRZHD-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.74
Rot. Bonds4

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

2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 153367928) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID153367928
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)nc1
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-10(11(16)17)9-6-5-8(19-4)7-14-9/h5-7,10H,1-4H3,(H,15,18)(H,16,17)
InChIKeyTVBFPSYXQPRZHD-UHFFFAOYSA-N
XLogP1.74
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 153367928) is 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is COc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is TVBFPSYXQPRZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-10(11(16)17)9-6-5-8(19-4)7-14-9/h5-7,10H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 153367928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).