2-methyl-3-morpholin-4-ylprop-2-enoic acid

C8H13NO3 — CID 54398762

IUPAC2-methyl-3-morpholin-4-ylprop-2-enoic acid
SMILESCC(=CN1CCOCC1)C(=O)O
InChIInChI=1S/C8H13NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyVLWZFQZRJMAZHD-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.31
Rot. Bonds2

About 2-methyl-3-morpholin-4-ylprop-2-enoic acid

2-methyl-3-morpholin-4-ylprop-2-enoic acid (PubChem CID 54398762) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylprop-2-enoic acid
PubChem CID54398762
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-methyl-3-morpholin-4-ylprop-2-enoic acid
SMILESCC(=CN1CCOCC1)C(=O)O
InChIInChI=1S/C8H13NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyVLWZFQZRJMAZHD-UHFFFAOYSA-N
XLogP0.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.31
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-3-morpholin-4-ylprop-2-enoic acid?
The IUPAC name of 2-methyl-3-morpholin-4-ylprop-2-enoic acid (CID 54398762) is 2-methyl-3-morpholin-4-ylprop-2-enoic acid.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylprop-2-enoic acid?
The canonical SMILES for 2-methyl-3-morpholin-4-ylprop-2-enoic acid is CC(=CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-morpholin-4-ylprop-2-enoic acid?
The InChIKey is VLWZFQZRJMAZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-morpholin-4-ylprop-2-enoic acid?
2-methyl-3-morpholin-4-ylprop-2-enoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylprop-2-enoic acid is sourced from PubChem (CID 54398762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).