4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid

C11H18N2O5 — CID 110106954

IUPAC4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid
SMILESCNC(=O)C1(C)CN(C(=O)CCC(=O)O)CCO1
InChIInChI=1S/C11H18N2O5/c1-11(10(17)12-2)7-13(5-6-18-11)8(14)3-4-9(15)16/h3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyLLMBSHDEXDHWKR-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.79
Rot. Bonds4

About 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid

4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid (PubChem CID 110106954) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid
PubChem CID110106954
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid
SMILESCNC(=O)C1(C)CN(C(=O)CCC(=O)O)CCO1
InChIInChI=1S/C11H18N2O5/c1-11(10(17)12-2)7-13(5-6-18-11)8(14)3-4-9(15)16/h3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyLLMBSHDEXDHWKR-UHFFFAOYSA-N
XLogP-0.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid (CID 110106954) is 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid is CNC(=O)C1(C)CN(C(=O)CCC(=O)O)CCO1.
What is the InChIKey of 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid?
The InChIKey is LLMBSHDEXDHWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(10(17)12-2)7-13(5-6-18-11)8(14)3-4-9(15)16/h3-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid?
4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid has a molecular weight of 258.27 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid is sourced from PubChem (CID 110106954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).