8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C15H25N7O3 — CID 72906610

IUPAC8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)Cn3nnnc3N)C2)CCC1=O
InChIInChI=1S/C15H25N7O3/c1-25-8-7-21-11-15(5-3-12(21)23)4-2-6-20(10-15)13(24)9-22-14(16)17-18-19-22/h2-11H2,1H3,(H2,16,17,19)
InChIKeyBRTUCUBPKQSCTH-UHFFFAOYSA-N
MW351.41 g/mol
LogP-0.87
Rot. Bonds5

About 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72906610) has the molecular formula C15H25N7O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72906610
Molecular FormulaC15H25N7O3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC Name8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)Cn3nnnc3N)C2)CCC1=O
InChIInChI=1S/C15H25N7O3/c1-25-8-7-21-11-15(5-3-12(21)23)4-2-6-20(10-15)13(24)9-22-14(16)17-18-19-22/h2-11H2,1H3,(H2,16,17,19)
InChIKeyBRTUCUBPKQSCTH-UHFFFAOYSA-N
XLogP-0.87
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
8-[2-(5-aminotetrazol-1-yl)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72850681
[2-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]urea
CID 97117307
(6R)-8-(2-cyclopentylacetyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97153831
(6R)-2-(2-methoxyethyl)-8-[3-(4-methylpiperazin-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97130386
8-[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72934797
8-[2-(4-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729809
2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70740209
2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72936910
2-(2-methoxyethyl)-8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72884877
2-(2-methoxyethyl)-8-[4-(2-methylimidazol-1-yl)butanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72889188

Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72906610) is 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(C(=O)Cn3nnnc3N)C2)CCC1=O.
What is the InChIKey of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BRTUCUBPKQSCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O3/c1-25-8-7-21-11-15(5-3-12(21)23)4-2-6-20(10-15)13(24)9-22-14(16)17-18-19-22/h2-11H2,1H3,(H2,16,17,19).
What are the key properties of 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 351.41 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72906610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).