2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C38H60N6O8 — CID 145155423

IUPAC2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCCN1CC2(CCN(C3CC4(CCN(C(=O)OCCCC(C)N5CC6(CCN(C7CC8(CCN(C(=O)O)C8)C7)CC6)OC5=O)C4)C3)CC2)OC1=O
InChIInChI=1S/C38H60N6O8/c1-3-12-42-26-37(51-33(42)48)8-15-39(16-9-37)30-22-36(23-30)7-14-43(25-36)32(47)50-19-4-5-28(2)44-27-38(52-34(44)49)10-17-40(18-11-38)29-20-35(21-29)6-13-41(24-35)31(45)46/h28-30H,3-27H2,1-2H3,(H,45,46)
InChIKeyBSSVBZWDOMAMGS-UHFFFAOYSA-N
MW728.93 g/mol
LogP4.66
Rot. Bonds9

About 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 145155423) has the molecular formula C38H60N6O8 and a molecular weight of 728.93 g/mol. Its IUPAC name is 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID145155423
Molecular FormulaC38H60N6O8
Molecular Weight728.93 g/mol
Exact Mass728.45
IUPAC Name2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCCN1CC2(CCN(C3CC4(CCN(C(=O)OCCCC(C)N5CC6(CCN(C7CC8(CCN(C(=O)O)C8)C7)CC6)OC5=O)C4)C3)CC2)OC1=O
InChIInChI=1S/C38H60N6O8/c1-3-12-42-26-37(51-33(42)48)8-15-39(16-9-37)30-22-36(23-30)7-14-43(25-36)32(47)50-19-4-5-28(2)44-27-38(52-34(44)49)10-17-40(18-11-38)29-20-35(21-29)6-13-41(24-35)31(45)46/h28-30H,3-27H2,1-2H3,(H,45,46)
InChIKeyBSSVBZWDOMAMGS-UHFFFAOYSA-N
XLogP4.66
TPSA135.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500728.93
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 145155423) is 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is CCCN1CC2(CCN(C3CC4(CCN(C(=O)OCCCC(C)N5CC6(CCN(C7CC8(CCN(C(=O)O)C8)C7)CC6)OC5=O)C4)C3)CC2)OC1=O.
What is the InChIKey of 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is BSSVBZWDOMAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H60N6O8/c1-3-12-42-26-37(51-33(42)48)8-15-39(16-9-37)30-22-36(23-30)7-14-43(25-36)32(47)50-19-4-5-28(2)44-27-38(52-34(44)49)10-17-40(18-11-38)29-20-35(21-29)6-13-41(24-35)31(45)46/h28-30H,3-27H2,1-2H3,(H,45,46).
What are the key properties of 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 728.93 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[5-[2-(2-oxo-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carbonyl]oxypentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 145155423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).