(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide

C12H19N3O4 — CID 139382772

IUPAC(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCN(C)C(=O)C2)C1=O
InChIInChI=1S/C12H19N3O4/c1-7(16)9(10(13)18)15-6-12(11(15)19)3-4-14(2)8(17)5-12/h7,9,16H,3-6H2,1-2H3,(H2,13,18)/t7-,9+,12?/m1/s1
InChIKeyUDQNGVNRXLYZCX-ZYKPYLKRSA-N
MW269.30 g/mol
LogP-1.70
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide

(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide (PubChem CID 139382772) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
PubChem CID139382772
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCN(C)C(=O)C2)C1=O
InChIInChI=1S/C12H19N3O4/c1-7(16)9(10(13)18)15-6-12(11(15)19)3-4-14(2)8(17)5-12/h7,9,16H,3-6H2,1-2H3,(H2,13,18)/t7-,9+,12?/m1/s1
InChIKeyUDQNGVNRXLYZCX-ZYKPYLKRSA-N
XLogP-1.70
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
CID 139390715
(2S,3R)-2-[10-acetyl-8-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]-3,9-dioxo-2,8,10-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 161249867
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
CID 171080731
(2S,3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanoic acid
CID 134231155
(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
CID 171080700
(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide
CID 134231190
(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 134243988
(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide
CID 167202368
7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione
CID 139382671
ethane;1,4,4-trimethylpiperidin-2-one
CID 143025002
2-(7-ethyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)acetamide
CID 139382770

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide (CID 139382772) is (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide is C[C@@H](O)[C@@H](C(N)=O)N1CC2(CCN(C)C(=O)C2)C1=O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide?
The InChIKey is UDQNGVNRXLYZCX-ZYKPYLKRSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7(16)9(10(13)18)15-6-12(11(15)19)3-4-14(2)8(17)5-12/h7,9,16H,3-6H2,1-2H3,(H2,13,18)/t7-,9+,12?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide?
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide has a molecular weight of 269.30 g/mol, XLogP of -1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide is sourced from PubChem (CID 139382772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).