4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid

C12H23NO4 — CID 43803216

IUPAC4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid
SMILESCOC(C)(C)CC(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,16-4)9-12(3,10(14)15)13-5-7-17-8-6-13/h5-9H2,1-4H3,(H,14,15)
InChIKeyTWDIBBZBNBKQIC-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.98
Rot. Bonds5

About 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid

4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid (PubChem CID 43803216) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid
PubChem CID43803216
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid
SMILESCOC(C)(C)CC(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,16-4)9-12(3,10(14)15)13-5-7-17-8-6-13/h5-9H2,1-4H3,(H,14,15)
InChIKeyTWDIBBZBNBKQIC-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid (CID 43803216) is 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid is COC(C)(C)CC(C)(C(=O)O)N1CCOCC1.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid?
The InChIKey is TWDIBBZBNBKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,16-4)9-12(3,10(14)15)13-5-7-17-8-6-13/h5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid?
4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 43803216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).