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

C13H18N2O4 — CID 54775624

IUPAC6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2cc(C(=O)O)[nH]c2C1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-5-4-8-6-9(11(16)17)14-10(8)7-15/h6,14H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyBFYPPKQUXCMLSH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.01
Rot. Bonds1

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

6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 54775624) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid
PubChem CID54775624
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2cc(C(=O)O)[nH]c2C1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-5-4-8-6-9(11(16)17)14-10(8)7-15/h6,14H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyBFYPPKQUXCMLSH-UHFFFAOYSA-N
XLogP2.01
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid with MolForge

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Related Compounds

4,5,6,7-Tetrahydro-1H-indole-2-carboxylic acid
CID 773806
3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 2776468
3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 10780409
3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 10802978
4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 20551426
2-tert-butyl 6-methyl 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2,6-dicarboxylate
CID 72207455
5-((tert-butoxy)carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrrolo(3,2-c)pyridine-2-carboxylic acid
CID 66523297
5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 66523307
6-((tert-butoxy)carbonyl)-5H,6H,7H-pyrrolo(3,4-b)pyridine-2-carboxylic acid
CID 131531623
2-((tert-butoxy)carbonyl)-1-methyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine-6-carboxylic acid
CID 132308716
2'-[(tert-butoxy)carbonyl]-3',4'-dihydro-2'H-spiro[cyclobutane-1,1'-pyrrolo[1,2-a]pyrazine]-6'-carboxylicacid
CID 138007647
3-[(E)-3-anilino-3-oxoprop-1-enyl]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 10707150

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid (CID 54775624) is 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCc2cc(C(=O)O)[nH]c2C1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is BFYPPKQUXCMLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-5-4-8-6-9(11(16)17)14-10(8)7-15/h6,14H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 54775624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).