3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

C67H102N10O15 — CID 160771434

About 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (PubChem CID 160771434) has the molecular formula C67H102N10O15 and a molecular weight of 1287.61 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
• PubChem CID: 160771434
• Molecular Formula: C67H102N10O15
• Molecular Weight: 1287.61 g/mol
• Exact Mass: 1286.75
• IUPAC Name: 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
• SMILES: CC(C)(CN)CO.CC(C)(CO)CNC(=O)OC(C)(C)C.CC1(C)CNC(=O)c2cc3ccc(C(=O)O)nc3n2C1.CCCC(C)(C)Cn1c(C(=O)OCC)cc2ccc(C(=O)OCC)nc21.CCOC(=O)c1ccc2cc(C(=O)OCC)n(CC(C)(C)CN)c2n1
• InChI: InChI=1S/C20H28N2O4.C18H25N3O4.C14H15N3O3.C10H21NO3.C5H13NO/c1-6-11-20(4,5)13-22-16(19(24)26-8-3)12-14-9-10-15(21-17(14)22)18(23)25-7-2;1-5-24-16(22)13-8-7-12-9-14(17(23)25-6-2)21(15(12)20-13)11-18(3,4)10-19;1-14(2)6-15-12(18)10-5-8-3-4-9(13(19)20)16-11(8)17(10)7-14;1-9(2,3)14-8(13)11-6-10(4,5)7-12;1-5(2,3-6)4-7/h9-10,12H,6-8,11,13H2,1-5H3;7-9H,5-6,10-11,19H2,1-4H3;3-5H,6-7H2,1-2H3,(H,15,18)(H,19,20);12H,6-7H2,1-5H3,(H,11,13);7H,3-4,6H2,1-2H3
• InChIKey: RZJGYUWGTPRWQG-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 355.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1287.61
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

The IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (CID 160771434) is 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid.

What is the SMILES notation for 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

The canonical SMILES for 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid is CC(C)(CN)CO.CC(C)(CO)CNC(=O)OC(C)(C)C.CC1(C)CNC(=O)c2cc3ccc(C(=O)O)nc3n2C1.CCCC(C)(C)Cn1c(C(=O)OCC)cc2ccc(C(=O)OCC)nc21.CCOC(=O)c1ccc2cc(C(=O)OCC)n(CC(C)(C)CN)c2n1.

What is the InChIKey of 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

The InChIKey is RZJGYUWGTPRWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4.C18H25N3O4.C14H15N3O3.C10H21NO3.C5H13NO/c1-6-11-20(4,5)13-22-16(19(24)26-8-3)12-14-9-10-15(21-17(14)22)18(23)25-7-2;1-5-24-16(22)13-8-7-12-9-14(17(23)25-6-2)21(15(12)20-13)11-18(3,4)10-19;1-14(2)6-15-12(18)10-5-8-3-4-9(13(19)20)16-11(8)17(10)7-14;1-9(2,3)14-8(13)11-6-10(4,5)7-12;1-5(2,3-6)4-7/h9-10,12H,6-8,11,13H2,1-5H3;7-9H,5-6,10-11,19H2,1-4H3;3-5H,6-7H2,1-2H3,(H,15,18)(H,19,20);12H,6-7H2,1-5H3,(H,11,13);7H,3-4,6H2,1-2H3.

What are the key properties of 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?

3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid has a molecular weight of 1287.61 g/mol, XLogP of 9.59, 21 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2,2-dimethylpropan-1-ol;tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate;diethyl 1-(3-amino-2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;diethyl 1-(2,2-dimethylpentyl)pyrrolo[2,3-b]pyridine-2,6-dicarboxylate;13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid is sourced from PubChem (CID 160771434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).