2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid

C14H29NO5 — CID 106807199

IUPAC2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
SMILESCCC(CCCOCCCOCCOC)(NC)C(=O)O
InChIInChI=1S/C14H29NO5/c1-4-14(15-2,13(16)17)7-5-8-19-9-6-10-20-12-11-18-3/h15H,4-12H2,1-3H3,(H,16,17)
InChIKeyQMZYJYCWFLGCDT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.29
Rot. Bonds14

About 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid

2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid (PubChem CID 106807199) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
PubChem CID106807199
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
SMILESCCC(CCCOCCCOCCOC)(NC)C(=O)O
InChIInChI=1S/C14H29NO5/c1-4-14(15-2,13(16)17)7-5-8-19-9-6-10-20-12-11-18-3/h15H,4-12H2,1-3H3,(H,16,17)
InChIKeyQMZYJYCWFLGCDT-UHFFFAOYSA-N
XLogP1.29
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
5-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)pentanamide
CID 104565427
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)pentan-1-ol
CID 104567691

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid (CID 106807199) is 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid is CCC(CCCOCCCOCCOC)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid?
The InChIKey is QMZYJYCWFLGCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-4-14(15-2,13(16)17)7-5-8-19-9-6-10-20-12-11-18-3/h15H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid?
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 1.29, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106807199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).