2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate

C12H25NO4 — CID 103178593

IUPAC2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OCCOCCCOC
InChIInChI=1S/C12H25NO4/c1-4-6-12(2,13)11(14)17-10-9-16-8-5-7-15-3/h4-10,13H2,1-3H3
InChIKeyQTZSLLXORIRPQH-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.10
Rot. Bonds10

About 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate

2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate (PubChem CID 103178593) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
PubChem CID103178593
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OCCOCCCOC
InChIInChI=1S/C12H25NO4/c1-4-6-12(2,13)11(14)17-10-9-16-8-5-7-15-3/h4-10,13H2,1-3H3
InChIKeyQTZSLLXORIRPQH-UHFFFAOYSA-N
XLogP1.10
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate
CID 103403485
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate
CID 112588251
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
CID 63686600
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
CID 101102682
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
2-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylhexanamide
CID 104565103
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate (CID 103178593) is 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate is CCCC(C)(N)C(=O)OCCOCCCOC.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate?
The InChIKey is QTZSLLXORIRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-4-6-12(2,13)11(14)17-10-9-16-8-5-7-15-3/h4-10,13H2,1-3H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate?
2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate has a molecular weight of 247.33 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate is sourced from PubChem (CID 103178593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).