1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C14H20N2O4 — CID 66523297

IUPAC1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-6-5-10-9(8-16)7-11(12(17)18)15(10)4/h7H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyVSZQDUGXFMAJAH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.02
Rot. Bonds1

About 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 66523297) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID66523297
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-6-5-10-9(8-16)7-11(12(17)18)15(10)4/h7H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyVSZQDUGXFMAJAH-UHFFFAOYSA-N
XLogP2.02
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 66523297) is 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is Cn1c(C(=O)O)cc2c1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is VSZQDUGXFMAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-6-5-10-9(8-16)7-11(12(17)18)15(10)4/h7H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 66523297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).