2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid

C12H16N2O4 — CID 50999134

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)c1ccccn1
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)8-6-4-5-7-13-8/h4-7,9H,1-3H3,(H,14,17)(H,15,16)
InChIKeyHOSQZYHLHUXAGN-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.73
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid (PubChem CID 50999134) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid
PubChem CID50999134
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)c1ccccn1
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)8-6-4-5-7-13-8/h4-7,9H,1-3H3,(H,14,17)(H,15,16)
InChIKeyHOSQZYHLHUXAGN-UHFFFAOYSA-N
XLogP1.73
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid (CID 50999134) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid is CC(C)(C)OC(=O)NC(C(=O)O)c1ccccn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid?
The InChIKey is HOSQZYHLHUXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)8-6-4-5-7-13-8/h4-7,9H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 50999134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).