(3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione

C12H22N2O4Sn — CID 124629735

IUPAC(3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione
SMILESCC(C)C[C@H]1N[Sn]2(N[C@H](CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/2C6H12NO2.Sn/c2*1-4(2)3-5(7)6(8)9;/h2*4-5,7H,3H2,1-2H3,(H,8,9);/q2*-1;+4/p-2/t2*5-;/m11./s1
InChIKeyQISVAQMAPFWLEN-WQZBAHQISA-L
MW377.03 g/mol
LogP0.54
Rot. Bonds4

About (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione

(3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione (PubChem CID 124629735) has the molecular formula C12H22N2O4Sn and a molecular weight of 377.03 g/mol. Its IUPAC name is (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name(3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione
PubChem CID124629735
Molecular FormulaC12H22N2O4Sn
Molecular Weight377.03 g/mol
Exact Mass378.06
IUPAC Name(3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione
SMILESCC(C)C[C@H]1N[Sn]2(N[C@H](CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/2C6H12NO2.Sn/c2*1-4(2)3-5(7)6(8)9;/h2*4-5,7H,3H2,1-2H3,(H,8,9);/q2*-1;+4/p-2/t2*5-;/m11./s1
InChIKeyQISVAQMAPFWLEN-WQZBAHQISA-L
XLogP0.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.03
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
(5S)-5-(2-methylpropyl)-2-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
CID 132502588
4-methylidene-5-(2-methylpropyl)imidazolidin-2-one
CID 89369003
3,6-bis(2-methylpropyl)-1,4,7-oxadiazonane-2,5,8-trione
CID 23524566
(3S,6R)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 162908531
2-methyl-3-(2-methylpropyl)cyclopropan-1-one
CID 89361317
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
3-(2-methylpropyl)oxetan-2-one
CID 23090013
2-(2-methylpropyl)-1,3-dioxan-5-one
CID 59066801
(4S,5S)-4,5-bis(2-methylpropyl)-1,3-dioxolan-2-one
CID 131845339
(3R)-5,5-dimethyl-3-(2-methylpropyl)piperazin-2-one
CID 92975056
actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 59884006

Frequently Asked Questions

What is the IUPAC name of (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione?
The IUPAC name of (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione (CID 124629735) is (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione is CC(C)C[C@H]1N[Sn]2(N[C@H](CC(C)C)C(=O)O2)OC1=O.
What is the InChIKey of (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione?
The InChIKey is QISVAQMAPFWLEN-WQZBAHQISA-L. The full InChI is InChI=1S/2C6H12NO2.Sn/c2*1-4(2)3-5(7)6(8)9;/h2*4-5,7H,3H2,1-2H3,(H,8,9);/q2*-1;+4/p-2/t2*5-;/m11./s1.
What are the key properties of (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione?
(3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione has a molecular weight of 377.03 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-3,8-bis(2-methylpropyl)-1,6-dioxa-4,9-diaza-5-stannaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 124629735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).