(6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid

C11H17NO4 — CID 103932856

IUPAC(6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid
SMILESC=CCCC(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C11H17NO4/c1-3-4-5-10(13)12-6-8(2)16-9(7-12)11(14)15/h3,8-9H,1,4-7H2,2H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyKYGOWEWWGCZOBI-VEDVMXKPSA-N
MW227.26 g/mol
LogP0.65
Rot. Bonds4

About (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid

(6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid (PubChem CID 103932856) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid
PubChem CID103932856
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid
SMILESC=CCCC(=O)N1CC(C(=O)O)O[C@H](C)C1
InChIInChI=1S/C11H17NO4/c1-3-4-5-10(13)12-6-8(2)16-9(7-12)11(14)15/h3,8-9H,1,4-7H2,2H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyKYGOWEWWGCZOBI-VEDVMXKPSA-N
XLogP0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid (CID 103932856) is (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid is C=CCCC(=O)N1CC(C(=O)O)O[C@H](C)C1.
What is the InChIKey of (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid?
The InChIKey is KYGOWEWWGCZOBI-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-4-5-10(13)12-6-8(2)16-9(7-12)11(14)15/h3,8-9H,1,4-7H2,2H3,(H,14,15)/t8-,9?/m1/s1.
What are the key properties of (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid?
(6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-pent-4-enoylmorpholine-2-carboxylic acid is sourced from PubChem (CID 103932856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).