2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate

C14H29NO6 — CID 104563663

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
SMILESCCCCOCCOCCOCCOC(=O)C(N)CCO
InChIInChI=1S/C14H29NO6/c1-2-3-6-18-7-8-19-9-10-20-11-12-21-14(17)13(15)4-5-16/h13,16H,2-12,15H2,1H3
InChIKeyOYMLJOQNFABEOT-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.09
Rot. Bonds15

About 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate

2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate (PubChem CID 104563663) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
PubChem CID104563663
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
SMILESCCCCOCCOCCOCCOC(=O)C(N)CCO
InChIInChI=1S/C14H29NO6/c1-2-3-6-18-7-8-19-9-10-20-11-12-21-14(17)13(15)4-5-16/h13,16H,2-12,15H2,1H3
InChIKeyOYMLJOQNFABEOT-UHFFFAOYSA-N
XLogP0.09
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
3-(2-methoxyethoxy)propyl (2R)-2-amino-4-hydroxybutanoate
CID 107825441
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
2-butoxyethyl (2R)-2-amino-3-sulfanylpropanoate
CID 107774143
bis[2-(2-butoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278845
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate (CID 104563663) is 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate is CCCCOCCOCCOCCOC(=O)C(N)CCO.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate?
The InChIKey is OYMLJOQNFABEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO6/c1-2-3-6-18-7-8-19-9-10-20-11-12-21-14(17)13(15)4-5-16/h13,16H,2-12,15H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate?
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate has a molecular weight of 307.39 g/mol, XLogP of 0.09, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate is sourced from PubChem (CID 104563663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).