2-(morpholin-4-ylmethylidene)butanoic acid

C9H15NO3 — CID 20981425

IUPAC2-(morpholin-4-ylmethylidene)butanoic acid
SMILESCCC(=CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-8(9(11)12)7-10-3-5-13-6-4-10/h7H,2-6H2,1H3,(H,11,12)
InChIKeyYRCJCXOMBJDGND-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.70
Rot. Bonds3

About 2-(morpholin-4-ylmethylidene)butanoic acid

2-(morpholin-4-ylmethylidene)butanoic acid (PubChem CID 20981425) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethylidene)butanoic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethylidene)butanoic acid
PubChem CID20981425
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(morpholin-4-ylmethylidene)butanoic acid
SMILESCCC(=CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-8(9(11)12)7-10-3-5-13-6-4-10/h7H,2-6H2,1H3,(H,11,12)
InChIKeyYRCJCXOMBJDGND-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethylidene)butanoic acid?
The IUPAC name of 2-(morpholin-4-ylmethylidene)butanoic acid (CID 20981425) is 2-(morpholin-4-ylmethylidene)butanoic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethylidene)butanoic acid?
The canonical SMILES for 2-(morpholin-4-ylmethylidene)butanoic acid is CCC(=CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-(morpholin-4-ylmethylidene)butanoic acid?
The InChIKey is YRCJCXOMBJDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(9(11)12)7-10-3-5-13-6-4-10/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(morpholin-4-ylmethylidene)butanoic acid?
2-(morpholin-4-ylmethylidene)butanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethylidene)butanoic acid is sourced from PubChem (CID 20981425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).