(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide

C13H21N3O4 — CID 159496865

IUPAC(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide
SMILESC[C@@H](O)[C@H](CC(=O)C1CCC2(CNC2=O)N1C)C(N)=O
InChIInChI=1S/C13H21N3O4/c1-7(17)8(11(14)19)5-10(18)9-3-4-13(16(9)2)6-15-12(13)20/h7-9,17H,3-6H2,1-2H3,(H2,14,19)(H,15,20)/t7-,8+,9?,13?/m1/s1
InChIKeyNFVHYBFKIORPNL-DIQFCNOHSA-N
MW283.33 g/mol
LogP-1.61
Rot. Bonds5

About (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide

(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide (PubChem CID 159496865) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide
PubChem CID159496865
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide
SMILESC[C@@H](O)[C@H](CC(=O)C1CCC2(CNC2=O)N1C)C(N)=O
InChIInChI=1S/C13H21N3O4/c1-7(17)8(11(14)19)5-10(18)9-3-4-13(16(9)2)6-15-12(13)20/h7-9,17H,3-6H2,1-2H3,(H2,14,19)(H,15,20)/t7-,8+,9?,13?/m1/s1
InChIKeyNFVHYBFKIORPNL-DIQFCNOHSA-N
XLogP-1.61
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide?
The IUPAC name of (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide (CID 159496865) is (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide.
What is the SMILES notation for (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide?
The canonical SMILES for (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide is C[C@@H](O)[C@H](CC(=O)C1CCC2(CNC2=O)N1C)C(N)=O.
What is the InChIKey of (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide?
The InChIKey is NFVHYBFKIORPNL-DIQFCNOHSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7(17)8(11(14)19)5-10(18)9-3-4-13(16(9)2)6-15-12(13)20/h7-9,17H,3-6H2,1-2H3,(H2,14,19)(H,15,20)/t7-,8+,9?,13?/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide?
(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide has a molecular weight of 283.33 g/mol, XLogP of -1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide is sourced from PubChem (CID 159496865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).