2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate

C11H23NO4 — CID 103178431

IUPAC2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OCCOCCCOC
InChIInChI=1S/C11H23NO4/c1-3-10(9-12)11(13)16-8-7-15-6-4-5-14-2/h10H,3-9,12H2,1-2H3
InChIKeyLNVWAYYIZOBBPH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.57
Rot. Bonds10

About 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate

2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate (PubChem CID 103178431) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
PubChem CID103178431
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OCCOCCCOC
InChIInChI=1S/C11H23NO4/c1-3-10(9-12)11(13)16-8-7-15-6-4-5-14-2/h10H,3-9,12H2,1-2H3
InChIKeyLNVWAYYIZOBBPH-UHFFFAOYSA-N
XLogP0.57
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.57
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

2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
2-[2-(3-methoxypropoxy)ethoxy]propanamide
CID 103179570
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-[2-(3-methoxypropoxy)ethoxy]propan-1-amine
CID 103175854
3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
CID 103403540
1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
CID 103407606

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate (CID 103178431) is 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate is CCC(CN)C(=O)OCCOCCCOC.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate?
The InChIKey is LNVWAYYIZOBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-10(9-12)11(13)16-8-7-15-6-4-5-14-2/h10H,3-9,12H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate?
2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate has a molecular weight of 233.31 g/mol, XLogP of 0.57, 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-(aminomethyl)butanoate is sourced from PubChem (CID 103178431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).