(5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one

C11H19N3O3 — CID 177467948

IUPAC(5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one
SMILESC[C@@H]1C[C@@H](C)[C@@]2(C[C@H]1O)N=C(N)NC(=O)[C@H]2O
InChIInChI=1S/C11H19N3O3/c1-5-3-6(2)11(4-7(5)15)8(16)9(17)13-10(12)14-11/h5-8,15-16H,3-4H2,1-2H3,(H3,12,13,14,17)/t5-,6-,7-,8-,11-/m1/s1
InChIKeyWUNFGTJSXXMQLW-UYEZSENVSA-N
MW241.29 g/mol
LogP-1.04
Rot. Bonds

About (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one

(5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one (PubChem CID 177467948) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one.

Molecular Properties

Compound Name(5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one
PubChem CID177467948
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one
SMILESC[C@@H]1C[C@@H](C)[C@@]2(C[C@H]1O)N=C(N)NC(=O)[C@H]2O
InChIInChI=1S/C11H19N3O3/c1-5-3-6(2)11(4-7(5)15)8(16)9(17)13-10(12)14-11/h5-8,15-16H,3-4H2,1-2H3,(H3,12,13,14,17)/t5-,6-,7-,8-,11-/m1/s1
InChIKeyWUNFGTJSXXMQLW-UYEZSENVSA-N
XLogP-1.04
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one?
The IUPAC name of (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one (CID 177467948) is (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one.
What is the SMILES notation for (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one?
The canonical SMILES for (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one is C[C@@H]1C[C@@H](C)[C@@]2(C[C@H]1O)N=C(N)NC(=O)[C@H]2O.
What is the InChIKey of (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one?
The InChIKey is WUNFGTJSXXMQLW-UYEZSENVSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-3-6(2)11(4-7(5)15)8(16)9(17)13-10(12)14-11/h5-8,15-16H,3-4H2,1-2H3,(H3,12,13,14,17)/t5-,6-,7-,8-,11-/m1/s1.
What are the key properties of (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one?
(5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one has a molecular weight of 241.29 g/mol, XLogP of -1.04, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one is sourced from PubChem (CID 177467948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).