2-ethenylmorpholine-4-carboxylic acid

C7H11NO3 — CID 174756238

IUPAC2-ethenylmorpholine-4-carboxylic acid
SMILESC=CC1CN(C(=O)O)CCO1
InChIInChI=1S/C7H11NO3/c1-2-6-5-8(7(9)10)3-4-11-6/h2,6H,1,3-5H2,(H,9,10)
InChIKeyKCQGAFNOXAJTLA-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.55
Rot. Bonds1

About 2-ethenylmorpholine-4-carboxylic acid

2-ethenylmorpholine-4-carboxylic acid (PubChem CID 174756238) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-ethenylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethenylmorpholine-4-carboxylic acid
PubChem CID174756238
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-ethenylmorpholine-4-carboxylic acid
SMILESC=CC1CN(C(=O)O)CCO1
InChIInChI=1S/C7H11NO3/c1-2-6-5-8(7(9)10)3-4-11-6/h2,6H,1,3-5H2,(H,9,10)
InChIKeyKCQGAFNOXAJTLA-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylmorpholine-4-carboxylic acid?
The IUPAC name of 2-ethenylmorpholine-4-carboxylic acid (CID 174756238) is 2-ethenylmorpholine-4-carboxylic acid.
What is the SMILES notation for 2-ethenylmorpholine-4-carboxylic acid?
The canonical SMILES for 2-ethenylmorpholine-4-carboxylic acid is C=CC1CN(C(=O)O)CCO1.
What is the InChIKey of 2-ethenylmorpholine-4-carboxylic acid?
The InChIKey is KCQGAFNOXAJTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6-5-8(7(9)10)3-4-11-6/h2,6H,1,3-5H2,(H,9,10).
What are the key properties of 2-ethenylmorpholine-4-carboxylic acid?
2-ethenylmorpholine-4-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylmorpholine-4-carboxylic acid is sourced from PubChem (CID 174756238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).