tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C16H26N4O6 — CID 22993655

IUPACtert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C(N)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C16H26N4O6/c1-15(2,3)26-14(24)19-7-5-16(6-8-19)12(22)20(13(23)18-16)9-10(17)11(21)25-4/h10H,5-9,17H2,1-4H3,(H,18,23)
InChIKeyJGFZHLAMRFODDZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.19
Rot. Bonds3

About tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 22993655) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID22993655
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Nametert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C(N)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C16H26N4O6/c1-15(2,3)26-14(24)19-7-5-16(6-8-19)12(22)20(13(23)18-16)9-10(17)11(21)25-4/h10H,5-9,17H2,1-4H3,(H,18,23)
InChIKeyJGFZHLAMRFODDZ-UHFFFAOYSA-N
XLogP-0.19
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CID 22993655) is tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is COC(=O)C(N)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is JGFZHLAMRFODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-15(2,3)26-14(24)19-7-5-16(6-8-19)12(22)20(13(23)18-16)9-10(17)11(21)25-4/h10H,5-9,17H2,1-4H3,(H,18,23).
What are the key properties of tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 370.41 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 22993655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).