(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C16H29N3O3 — CID 23577413

IUPAC(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCNCC2
InChIInChI=1S/C16H29N3O3/c1-4-5-10-19-14(21)12(13(20)11(2)3)18-15(22)16(19)6-8-17-9-7-16/h11-13,17,20H,4-10H2,1-3H3,(H,18,22)/t12-,13-/m1/s1
InChIKeyFSVGBMSJFXJJMV-CHWSQXEVSA-N
MW311.43 g/mol
LogP0.25
Rot. Bonds5

About (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 23577413) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID23577413
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCNCC2
InChIInChI=1S/C16H29N3O3/c1-4-5-10-19-14(21)12(13(20)11(2)3)18-15(22)16(19)6-8-17-9-7-16/h11-13,17,20H,4-10H2,1-3H3,(H,18,22)/t12-,13-/m1/s1
InChIKeyFSVGBMSJFXJJMV-CHWSQXEVSA-N
XLogP0.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 23577413) is (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCNCC2.
What is the InChIKey of (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is FSVGBMSJFXJJMV-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-4-5-10-19-14(21)12(13(20)11(2)3)18-15(22)16(19)6-8-17-9-7-16/h11-13,17,20H,4-10H2,1-3H3,(H,18,22)/t12-,13-/m1/s1.
What are the key properties of (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 311.43 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 23577413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).