2-(3-methoxypropoxy)ethyl 6-aminohexanoate

C12H25NO4 — CID 103178476

IUPAC2-(3-methoxypropoxy)ethyl 6-aminohexanoate
SMILESCOCCCOCCOC(=O)CCCCCN
InChIInChI=1S/C12H25NO4/c1-15-8-5-9-16-10-11-17-12(14)6-3-2-4-7-13/h2-11,13H2,1H3
InChIKeySPPMYXBABLDLTD-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.10
Rot. Bonds12

About 2-(3-methoxypropoxy)ethyl 6-aminohexanoate

2-(3-methoxypropoxy)ethyl 6-aminohexanoate (PubChem CID 103178476) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 6-aminohexanoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 6-aminohexanoate
PubChem CID103178476
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-(3-methoxypropoxy)ethyl 6-aminohexanoate
SMILESCOCCCOCCOC(=O)CCCCCN
InChIInChI=1S/C12H25NO4/c1-15-8-5-9-16-10-11-17-12(14)6-3-2-4-7-13/h2-11,13H2,1H3
InChIKeySPPMYXBABLDLTD-UHFFFAOYSA-N
XLogP1.10
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
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

ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
2-methoxyethyl 5-methoxypentanoate
CID 58454735
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate
CID 177065450
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate
CID 175059981
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 6-aminohexanoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 6-aminohexanoate (CID 103178476) is 2-(3-methoxypropoxy)ethyl 6-aminohexanoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 6-aminohexanoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 6-aminohexanoate is COCCCOCCOC(=O)CCCCCN.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 6-aminohexanoate?
The InChIKey is SPPMYXBABLDLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-15-8-5-9-16-10-11-17-12(14)6-3-2-4-7-13/h2-11,13H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 6-aminohexanoate?
2-(3-methoxypropoxy)ethyl 6-aminohexanoate has a molecular weight of 247.33 g/mol, XLogP of 1.10, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 6-aminohexanoate is sourced from PubChem (CID 103178476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).