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

C12H19N3O4 — CID 134231190

IUPAC(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide
SMILESCNC(=O)[C@H]([C@@H](C)O)N1CC2(CCNC(=O)C2)C1=O
InChIInChI=1S/C12H19N3O4/c1-7(16)9(10(18)13-2)15-6-12(11(15)19)3-4-14-8(17)5-12/h7,9,16H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,9+,12?/m1/s1
InChIKeyUPGTZSZSHRKHHY-ZYKPYLKRSA-N
MW269.30 g/mol
LogP-1.78
Rot. Bonds3

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

(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide (PubChem CID 134231190) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide
PubChem CID134231190
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide
SMILESCNC(=O)[C@H]([C@@H](C)O)N1CC2(CCNC(=O)C2)C1=O
InChIInChI=1S/C12H19N3O4/c1-7(16)9(10(18)13-2)15-6-12(11(15)19)3-4-14-8(17)5-12/h7,9,16H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,9+,12?/m1/s1
InChIKeyUPGTZSZSHRKHHY-ZYKPYLKRSA-N
XLogP-1.78
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide?
The IUPAC name of (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide (CID 134231190) is (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide?
The canonical SMILES for (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide is CNC(=O)[C@H]([C@@H](C)O)N1CC2(CCNC(=O)C2)C1=O.
What is the InChIKey of (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide?
The InChIKey is UPGTZSZSHRKHHY-ZYKPYLKRSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7(16)9(10(18)13-2)15-6-12(11(15)19)3-4-14-8(17)5-12/h7,9,16H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,9+,12?/m1/s1.
What are the key properties of (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide?
(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide has a molecular weight of 269.30 g/mol, XLogP of -1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide is sourced from PubChem (CID 134231190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).