6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid

C13H18N2O4 — CID 59332901

IUPAC6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc(C(=O)O)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15(4)8-10-6-5-9(7-14-10)11(16)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyHZVCTQAAIJBRBQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.15
Rot. Bonds3

About 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid

6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid (PubChem CID 59332901) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid
PubChem CID59332901
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc(C(=O)O)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15(4)8-10-6-5-9(7-14-10)11(16)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyHZVCTQAAIJBRBQ-UHFFFAOYSA-N
XLogP2.15
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid (CID 59332901) is 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid is CN(Cc1ccc(C(=O)O)cn1)C(=O)OC(C)(C)C.
What is the InChIKey of 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is HZVCTQAAIJBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15(4)8-10-6-5-9(7-14-10)11(16)17/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid?
6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).