(2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide

C13H23N3O4 — CID 59968577

IUPAC(2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide
SMILESCN[C@@H](CC(=O)N1CCOCC1)C(=O)NC(C)C(C)=O
InChIInChI=1S/C13H23N3O4/c1-9(10(2)17)15-13(19)11(14-3)8-12(18)16-4-6-20-7-5-16/h9,11,14H,4-8H2,1-3H3,(H,15,19)/t9?,11-/m0/s1
InChIKeyPROHEGUTVPMZDX-UMJHXOGRSA-N
MW285.34 g/mol
LogP-1.08
Rot. Bonds6

About (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide

(2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide (PubChem CID 59968577) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide
PubChem CID59968577
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide
SMILESCN[C@@H](CC(=O)N1CCOCC1)C(=O)NC(C)C(C)=O
InChIInChI=1S/C13H23N3O4/c1-9(10(2)17)15-13(19)11(14-3)8-12(18)16-4-6-20-7-5-16/h9,11,14H,4-8H2,1-3H3,(H,15,19)/t9?,11-/m0/s1
InChIKeyPROHEGUTVPMZDX-UMJHXOGRSA-N
XLogP-1.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide?
The IUPAC name of (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide (CID 59968577) is (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide?
The canonical SMILES for (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide is CN[C@@H](CC(=O)N1CCOCC1)C(=O)NC(C)C(C)=O.
What is the InChIKey of (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide?
The InChIKey is PROHEGUTVPMZDX-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(10(2)17)15-13(19)11(14-3)8-12(18)16-4-6-20-7-5-16/h9,11,14H,4-8H2,1-3H3,(H,15,19)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide?
(2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide has a molecular weight of 285.34 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-4-morpholin-4-yl-4-oxo-N-(3-oxobutan-2-yl)butanamide is sourced from PubChem (CID 59968577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).