3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one

About 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one

3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one (PubChem CID 166893457) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name	3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one
PubChem CID	166893457
Molecular Formula	C26H37N5O4
Molecular Weight	483.61 g/mol
Exact Mass	483.28
IUPAC Name	3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one
SMILES	COc1cccc2[nH]c(C(=O)N3CC4(CCC4)CC3C(O)NC(N)CC3CC(C)(C)NC3=O)cc12
InChI	InChI=1S/C26H37N5O4/c1-25(2)12-15(22(32)30-25)10-21(27)29-23(33)19-13-26(8-5-9-26)14-31(19)24(34)18-11-16-17(28-18)6-4-7-20(16)35-3/h4,6-7,11,15,19,21,23,28-29,33H,5,8-10,12-14,27H2,1-3H3,(H,30,32)
InChIKey	WEZQMIOBJIPWHZ-UHFFFAOYSA-N
XLogP	2.06
TPSA	132.71 Å²
H-Bond Donors	5
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?

The IUPAC name of 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one (CID 166893457) is 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one.

What is the SMILES notation for 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?

The canonical SMILES for 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one is COc1cccc2[nH]c(C(=O)N3CC4(CCC4)CC3C(O)NC(N)CC3CC(C)(C)NC3=O)cc12.

What is the InChIKey of 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?

The InChIKey is WEZQMIOBJIPWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-25(2)12-15(22(32)30-25)10-21(27)29-23(33)19-13-26(8-5-9-26)14-31(19)24(34)18-11-16-17(28-18)6-4-7-20(16)35-3/h4,6-7,11,15,19,21,23,28-29,33H,5,8-10,12-14,27H2,1-3H3,(H,30,32).

What are the key properties of 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one?

3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one has a molecular weight of 483.61 g/mol, XLogP of 2.06, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-2-[[hydroxy-[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 166893457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).