[3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate

C25H34N4O6 — CID 118589866

IUPAC[3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate
SMILESCC1N(CC(=O)N2CCCC2)C(=O)C12CCCN2C(=O)C(OC(N)=O)C(O)CCc1ccccc1
InChIInChI=1S/C25H34N4O6/c1-17-25(23(33)28(17)16-20(31)27-13-5-6-14-27)12-7-15-29(25)22(32)21(35-24(26)34)19(30)11-10-18-8-3-2-4-9-18/h2-4,8-9,17,19,21,30H,5-7,10-16H2,1H3,(H2,26,34)
InChIKeyZRLHZDABMJFGRL-UHFFFAOYSA-N
MW486.57 g/mol
LogP0.66
Rot. Bonds8

About [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate

[3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate (PubChem CID 118589866) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate
PubChem CID118589866
Molecular FormulaC25H34N4O6
Molecular Weight486.57 g/mol
Exact Mass486.25
IUPAC Name[3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate
SMILESCC1N(CC(=O)N2CCCC2)C(=O)C12CCCN2C(=O)C(OC(N)=O)C(O)CCc1ccccc1
InChIInChI=1S/C25H34N4O6/c1-17-25(23(33)28(17)16-20(31)27-13-5-6-14-27)12-7-15-29(25)22(32)21(35-24(26)34)19(30)11-10-18-8-3-2-4-9-18/h2-4,8-9,17,19,21,30H,5-7,10-16H2,1H3,(H2,26,34)
InChIKeyZRLHZDABMJFGRL-UHFFFAOYSA-N
XLogP0.66
TPSA133.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate?
The IUPAC name of [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate (CID 118589866) is [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate.
What is the SMILES notation for [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate?
The canonical SMILES for [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate is CC1N(CC(=O)N2CCCC2)C(=O)C12CCCN2C(=O)C(OC(N)=O)C(O)CCc1ccccc1.
What is the InChIKey of [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate?
The InChIKey is ZRLHZDABMJFGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6/c1-17-25(23(33)28(17)16-20(31)27-13-5-6-14-27)12-7-15-29(25)22(32)21(35-24(26)34)19(30)11-10-18-8-3-2-4-9-18/h2-4,8-9,17,19,21,30H,5-7,10-16H2,1H3,(H2,26,34).
What are the key properties of [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate?
[3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate has a molecular weight of 486.57 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate is sourced from PubChem (CID 118589866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).