5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid

C13H25NO5 — CID 55155959

IUPAC5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOCCOCCCNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO5/c1-13(2,10-12(16)17)9-11(15)14-5-4-6-19-8-7-18-3/h4-10H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGUMQMCKPLPWFGQ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.05
Rot. Bonds11

About 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 55155959) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID55155959
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOCCOCCCNC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO5/c1-13(2,10-12(16)17)9-11(15)14-5-4-6-19-8-7-18-3/h4-10H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGUMQMCKPLPWFGQ-UHFFFAOYSA-N
XLogP1.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 55155959) is 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid is COCCOCCCNC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is GUMQMCKPLPWFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-13(2,10-12(16)17)9-11(15)14-5-4-6-19-8-7-18-3/h4-10H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 275.34 g/mol, XLogP of 1.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyethoxy)propylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 55155959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).