4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid

C17H32N2O8 — CID 144675033

IUPAC4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
SMILESCC.CC.CC(=O)N1CCOC(C(=O)O)C1.O=CN1CCOCC1C(=O)O
InChIInChI=1S/C7H11NO4.C6H9NO4.2C2H6/c1-5(9)8-2-3-12-6(4-8)7(10)11;8-4-7-1-2-11-3-5(7)6(9)10;2*1-2/h6H,2-4H2,1H3,(H,10,11);4-5H,1-3H2,(H,9,10);2*1-2H3
InChIKeyKGUJNRVMIVOHHM-UHFFFAOYSA-N
MW392.45 g/mol
LogP0.30
Rot. Bonds3

About 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid

4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid (PubChem CID 144675033) has the molecular formula C17H32N2O8 and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
PubChem CID144675033
Molecular FormulaC17H32N2O8
Molecular Weight392.45 g/mol
Exact Mass392.22
IUPAC Name4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
SMILESCC.CC.CC(=O)N1CCOC(C(=O)O)C1.O=CN1CCOCC1C(=O)O
InChIInChI=1S/C7H11NO4.C6H9NO4.2C2H6/c1-5(9)8-2-3-12-6(4-8)7(10)11;8-4-7-1-2-11-3-5(7)6(9)10;2*1-2/h6H,2-4H2,1H3,(H,10,11);4-5H,1-3H2,(H,9,10);2*1-2H3
InChIKeyKGUJNRVMIVOHHM-UHFFFAOYSA-N
XLogP0.30
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-acetylmorpholine-2-carboxylic acid
CID 20598078
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
CID 63706904
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931

Frequently Asked Questions

What is the IUPAC name of 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid?
The IUPAC name of 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid (CID 144675033) is 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid.
What is the SMILES notation for 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid?
The canonical SMILES for 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid is CC.CC.CC(=O)N1CCOC(C(=O)O)C1.O=CN1CCOCC1C(=O)O.
What is the InChIKey of 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid?
The InChIKey is KGUJNRVMIVOHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4.C6H9NO4.2C2H6/c1-5(9)8-2-3-12-6(4-8)7(10)11;8-4-7-1-2-11-3-5(7)6(9)10;2*1-2/h6H,2-4H2,1H3,(H,10,11);4-5H,1-3H2,(H,9,10);2*1-2H3.
What are the key properties of 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid?
4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid has a molecular weight of 392.45 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid is sourced from PubChem (CID 144675033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).