2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid

C12H16N2O4 — CID 75525935

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ncccc1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-10-8(7-9(15)16)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyOHWUZICWFKKKBA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.06
Rot. Bonds3

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid (PubChem CID 75525935) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid
PubChem CID75525935
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ncccc1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-10-8(7-9(15)16)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyOHWUZICWFKKKBA-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid (CID 75525935) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid is CC(C)(C)OC(=O)Nc1ncccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
The InChIKey is OHWUZICWFKKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-10-8(7-9(15)16)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,15,16)(H,13,14,17).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid is sourced from PubChem (CID 75525935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).