3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid

C11H19NO3 — CID 67155094

IUPAC3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid
SMILESC=C(C(=O)O)C(C)CCN1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9(10(2)11(13)14)3-4-12-5-7-15-8-6-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeySZRNGROLRAZIHA-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.99
Rot. Bonds5

About 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid

3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid (PubChem CID 67155094) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid
PubChem CID67155094
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid
SMILESC=C(C(=O)O)C(C)CCN1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9(10(2)11(13)14)3-4-12-5-7-15-8-6-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeySZRNGROLRAZIHA-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.99
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 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid?
The IUPAC name of 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid (CID 67155094) is 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid.
What is the SMILES notation for 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid?
The canonical SMILES for 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid is C=C(C(=O)O)C(C)CCN1CCOCC1.
What is the InChIKey of 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid?
The InChIKey is SZRNGROLRAZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(10(2)11(13)14)3-4-12-5-7-15-8-6-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid?
3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-5-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 67155094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).