4-acetyl-2-methylmorpholine-3-carboxylic acid

C8H13NO4 — CID 118137411

IUPAC4-acetyl-2-methylmorpholine-3-carboxylic acid
SMILESCC(=O)N1CCOC(C)C1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5-7(8(11)12)9(6(2)10)3-4-13-5/h5,7H,3-4H2,1-2H3,(H,11,12)
InChIKeyGXPIFYIEZNLQOB-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.29
Rot. Bonds1

About 4-acetyl-2-methylmorpholine-3-carboxylic acid

4-acetyl-2-methylmorpholine-3-carboxylic acid (PubChem CID 118137411) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-acetyl-2-methylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-2-methylmorpholine-3-carboxylic acid
PubChem CID118137411
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-acetyl-2-methylmorpholine-3-carboxylic acid
SMILESCC(=O)N1CCOC(C)C1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5-7(8(11)12)9(6(2)10)3-4-13-5/h5,7H,3-4H2,1-2H3,(H,11,12)
InChIKeyGXPIFYIEZNLQOB-UHFFFAOYSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid
CID 131151267
4-but-3-ynoyl-2-methylmorpholine-3-carboxylic acid
CID 130657220
4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid
CID 130605069
1-[4-(2,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110744442
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
4-acetylmorpholine-2-carboxylic acid
CID 20598078
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid
CID 131101568
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-O-tert-butyl 3-O-methyl 2-methylmorpholine-3,4-dicarboxylate
CID 155291012
(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
CID 126987751
1-acetyl-3-methoxypiperidine-2-carboxylic acid
CID 167730306

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methylmorpholine-3-carboxylic acid?
The IUPAC name of 4-acetyl-2-methylmorpholine-3-carboxylic acid (CID 118137411) is 4-acetyl-2-methylmorpholine-3-carboxylic acid.
What is the SMILES notation for 4-acetyl-2-methylmorpholine-3-carboxylic acid?
The canonical SMILES for 4-acetyl-2-methylmorpholine-3-carboxylic acid is CC(=O)N1CCOC(C)C1C(=O)O.
What is the InChIKey of 4-acetyl-2-methylmorpholine-3-carboxylic acid?
The InChIKey is GXPIFYIEZNLQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5-7(8(11)12)9(6(2)10)3-4-13-5/h5,7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-acetyl-2-methylmorpholine-3-carboxylic acid?
4-acetyl-2-methylmorpholine-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methylmorpholine-3-carboxylic acid is sourced from PubChem (CID 118137411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).