4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid

C11H16N2O4 — CID 116678233

IUPAC4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid
SMILESCC(C(=O)N1CCOCC1C(=O)O)=C1CNC1
InChIInChI=1S/C11H16N2O4/c1-7(8-4-12-5-8)10(14)13-2-3-17-6-9(13)11(15)16/h9,12H,2-6H2,1H3,(H,15,16)
InChIKeyGPOHOPRQQXWVJG-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.78
Rot. Bonds2

About 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid

4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid (PubChem CID 116678233) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid
PubChem CID116678233
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid
SMILESCC(C(=O)N1CCOCC1C(=O)O)=C1CNC1
InChIInChI=1S/C11H16N2O4/c1-7(8-4-12-5-8)10(14)13-2-3-17-6-9(13)11(15)16/h9,12H,2-6H2,1H3,(H,15,16)
InChIKeyGPOHOPRQQXWVJG-UHFFFAOYSA-N
XLogP-0.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(azetidin-3-ylidene)propanoyl]-N-methylmorpholine-3-carboxamide
CID 116678793
4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 116678797
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 116676327
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124596115
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3S)-4-chloromorpholine-3-carboxylic acid
CID 121451605
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid
CID 107737030

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid (CID 116678233) is 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid is CC(C(=O)N1CCOCC1C(=O)O)=C1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is GPOHOPRQQXWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(8-4-12-5-8)10(14)13-2-3-17-6-9(13)11(15)16/h9,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid?
4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 116678233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).