(1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

C17H26N6O4 — CID 8934160

IUPAC(1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCCCCn1nnnc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C17H26N6O4/c1-3-4-9-23-13(19-20-21-23)11-27-14(24)10-22-15(25)17(18-16(22)26)8-6-5-7-12(17)2/h12H,3-11H2,1-2H3,(H,18,26)/t12-,17-/m0/s1
InChIKeyHXRLJEBAZJDQNJ-SJCJKPOMSA-N
MW378.43 g/mol
LogP1.02
Rot. Bonds7

About (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

(1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 8934160) has the molecular formula C17H26N6O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID8934160
Molecular FormulaC17H26N6O4
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC Name(1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCCCCn1nnnc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C17H26N6O4/c1-3-4-9-23-13(19-20-21-23)11-27-14(24)10-22-15(25)17(18-16(22)26)8-6-5-7-12(17)2/h12H,3-11H2,1-2H3,(H,18,26)/t12-,17-/m0/s1
InChIKeyHXRLJEBAZJDQNJ-SJCJKPOMSA-N
XLogP1.02
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 8934160) is (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is CCCCn1nnnc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is HXRLJEBAZJDQNJ-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H26N6O4/c1-3-4-9-23-13(19-20-21-23)11-27-14(24)10-22-15(25)17(18-16(22)26)8-6-5-7-12(17)2/h12H,3-11H2,1-2H3,(H,18,26)/t12-,17-/m0/s1.
What are the key properties of (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
(1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 378.43 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 8934160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).