2-methyl-2-morpholin-4-ylpropanedioic acid

C8H13NO5 — CID 22752930

IUPAC2-methyl-2-morpholin-4-ylpropanedioic acid
SMILESCC(C(=O)O)(C(=O)O)N1CCOCC1
InChIInChI=1S/C8H13NO5/c1-8(6(10)11,7(12)13)9-2-4-14-5-3-9/h2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyWLDIZRALGAOEAM-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.75
Rot. Bonds3

About 2-methyl-2-morpholin-4-ylpropanedioic acid

2-methyl-2-morpholin-4-ylpropanedioic acid (PubChem CID 22752930) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylpropanedioic acid.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylpropanedioic acid
PubChem CID22752930
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-methyl-2-morpholin-4-ylpropanedioic acid
SMILESCC(C(=O)O)(C(=O)O)N1CCOCC1
InChIInChI=1S/C8H13NO5/c1-8(6(10)11,7(12)13)9-2-4-14-5-3-9/h2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyWLDIZRALGAOEAM-UHFFFAOYSA-N
XLogP-0.75
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-ylpropanedioic acid?
The IUPAC name of 2-methyl-2-morpholin-4-ylpropanedioic acid (CID 22752930) is 2-methyl-2-morpholin-4-ylpropanedioic acid.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylpropanedioic acid?
The canonical SMILES for 2-methyl-2-morpholin-4-ylpropanedioic acid is CC(C(=O)O)(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylpropanedioic acid?
The InChIKey is WLDIZRALGAOEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-8(6(10)11,7(12)13)9-2-4-14-5-3-9/h2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-2-morpholin-4-ylpropanedioic acid?
2-methyl-2-morpholin-4-ylpropanedioic acid has a molecular weight of 203.19 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylpropanedioic acid is sourced from PubChem (CID 22752930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).