2-butoxyethyl 2-aminoacetate

C8H17NO3 — CID 61304060

IUPAC2-butoxyethyl 2-aminoacetate
SMILESCCCCOCCOC(=O)CN
InChIInChI=1S/C8H17NO3/c1-2-3-4-11-5-6-12-8(10)7-9/h2-7,9H2,1H3
InChIKeyJBZZVDLGJDYPEW-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.31
Rot. Bonds7

About 2-butoxyethyl 2-aminoacetate

2-butoxyethyl 2-aminoacetate (PubChem CID 61304060) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-butoxyethyl 2-aminoacetate.

Molecular Properties

Compound Name2-butoxyethyl 2-aminoacetate
PubChem CID61304060
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-butoxyethyl 2-aminoacetate
SMILESCCCCOCCOC(=O)CN
InChIInChI=1S/C8H17NO3/c1-2-3-4-11-5-6-12-8(10)7-9/h2-7,9H2,1H3
InChIKeyJBZZVDLGJDYPEW-UHFFFAOYSA-N
XLogP0.31
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
2-(2-butoxyethoxy)ethyl 2-chloroacetate
CID 13259947
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;silver
CID 87311971
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-aminoacetate?
The IUPAC name of 2-butoxyethyl 2-aminoacetate (CID 61304060) is 2-butoxyethyl 2-aminoacetate.
What is the SMILES notation for 2-butoxyethyl 2-aminoacetate?
The canonical SMILES for 2-butoxyethyl 2-aminoacetate is CCCCOCCOC(=O)CN.
What is the InChIKey of 2-butoxyethyl 2-aminoacetate?
The InChIKey is JBZZVDLGJDYPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-4-11-5-6-12-8(10)7-9/h2-7,9H2,1H3.
What are the key properties of 2-butoxyethyl 2-aminoacetate?
2-butoxyethyl 2-aminoacetate has a molecular weight of 175.23 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-aminoacetate is sourced from PubChem (CID 61304060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).