2-methyl-4-morpholin-4-ylpent-2-enoic acid

C10H17NO3 — CID 66586720

IUPAC2-methyl-4-morpholin-4-ylpent-2-enoic acid
SMILESCC(=CC(C)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)7-9(2)11-3-5-14-6-4-11/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyOWXNQIUOKYEXBI-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.74
Rot. Bonds3

About 2-methyl-4-morpholin-4-ylpent-2-enoic acid

2-methyl-4-morpholin-4-ylpent-2-enoic acid (PubChem CID 66586720) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-ylpent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-ylpent-2-enoic acid
PubChem CID66586720
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methyl-4-morpholin-4-ylpent-2-enoic acid
SMILESCC(=CC(C)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)7-9(2)11-3-5-14-6-4-11/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyOWXNQIUOKYEXBI-UHFFFAOYSA-N
XLogP0.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.74
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-methyl-4-morpholin-4-ylpent-2-enoic acid?
The IUPAC name of 2-methyl-4-morpholin-4-ylpent-2-enoic acid (CID 66586720) is 2-methyl-4-morpholin-4-ylpent-2-enoic acid.
What is the SMILES notation for 2-methyl-4-morpholin-4-ylpent-2-enoic acid?
The canonical SMILES for 2-methyl-4-morpholin-4-ylpent-2-enoic acid is CC(=CC(C)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-4-morpholin-4-ylpent-2-enoic acid?
The InChIKey is OWXNQIUOKYEXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(10(12)13)7-9(2)11-3-5-14-6-4-11/h7,9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-4-morpholin-4-ylpent-2-enoic acid?
2-methyl-4-morpholin-4-ylpent-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-ylpent-2-enoic acid is sourced from PubChem (CID 66586720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).