(2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one

C14H23NO5 — CID 101370667

IUPAC(2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC[C@@H](O[C@](C)(OC)C(C)=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H23NO5/c1-5-6-12(20-14(3,18-4)11(2)16)13(17)15-7-9-19-10-8-15/h5,12H,1,6-10H2,2-4H3/t12-,14+/m1/s1
InChIKeyAAYATENGVQASJE-OCCSQVGLSA-N
MW285.34 g/mol
LogP0.76
Rot. Bonds7

About (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one

(2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 101370667) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one
PubChem CID101370667
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC[C@@H](O[C@](C)(OC)C(C)=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H23NO5/c1-5-6-12(20-14(3,18-4)11(2)16)13(17)15-7-9-19-10-8-15/h5,12H,1,6-10H2,2-4H3/t12-,14+/m1/s1
InChIKeyAAYATENGVQASJE-OCCSQVGLSA-N
XLogP0.76
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one (CID 101370667) is (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one is C=CC[C@@H](O[C@](C)(OC)C(C)=O)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is AAYATENGVQASJE-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H23NO5/c1-5-6-12(20-14(3,18-4)11(2)16)13(17)15-7-9-19-10-8-15/h5,12H,1,6-10H2,2-4H3/t12-,14+/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one?
(2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 285.34 g/mol, XLogP of 0.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-methoxy-3-oxobutan-2-yl]oxy-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 101370667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).