4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid

C9H15NO4 — CID 93111439

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
SMILESC[C@@H]1COCCN1C(=O)CCC(=O)O
InChIInChI=1S/C9H15NO4/c1-7-6-14-5-4-10(7)8(11)2-3-9(12)13/h7H,2-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyTVFSDJLOHZNNKN-SSDOTTSWSA-N
MW201.22 g/mol
LogP0.10
Rot. Bonds3

About 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid

4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid (PubChem CID 93111439) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
PubChem CID93111439
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
SMILESC[C@@H]1COCCN1C(=O)CCC(=O)O
InChIInChI=1S/C9H15NO4/c1-7-6-14-5-4-10(7)8(11)2-3-9(12)13/h7H,2-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyTVFSDJLOHZNNKN-SSDOTTSWSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
CID 106774401
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
ethyl 4-[(3R)-3-methylmorpholin-4-yl]-2,4-dioxobutanoate
CID 163276648
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid (CID 93111439) is 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid is C[C@@H]1COCCN1C(=O)CCC(=O)O.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid?
The InChIKey is TVFSDJLOHZNNKN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO4/c1-7-6-14-5-4-10(7)8(11)2-3-9(12)13/h7H,2-6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid?
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid is sourced from PubChem (CID 93111439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).