methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate

C9H15NO5 — CID 19761617

IUPACmethyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate
SMILESCOC(=O)C(O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO5/c1-14-9(13)7(11)6-8(12)10-2-4-15-5-3-10/h7,11H,2-6H2,1H3
InChIKeyVBMVYALXNWNYOE-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.23
Rot. Bonds3

About methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate

methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate (PubChem CID 19761617) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate
PubChem CID19761617
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namemethyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate
SMILESCOC(=O)C(O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO5/c1-14-9(13)7(11)6-8(12)10-2-4-15-5-3-10/h7,11H,2-6H2,1H3
InChIKeyVBMVYALXNWNYOE-UHFFFAOYSA-N
XLogP-1.23
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate?
The IUPAC name of methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate (CID 19761617) is methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate.
What is the SMILES notation for methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate?
The canonical SMILES for methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate is COC(=O)C(O)CC(=O)N1CCOCC1.
What is the InChIKey of methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate?
The InChIKey is VBMVYALXNWNYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-14-9(13)7(11)6-8(12)10-2-4-15-5-3-10/h7,11H,2-6H2,1H3.
What are the key properties of methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate?
methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate has a molecular weight of 217.22 g/mol, XLogP of -1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-morpholin-4-yl-4-oxobutanoate is sourced from PubChem (CID 19761617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).