4-amino-2-(ethoxymethyl)butanoic acid

C7H15NO3 — CID 104680964

IUPAC4-amino-2-(ethoxymethyl)butanoic acid
SMILESCCOCC(CCN)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-11-5-6(3-4-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyDITWQNACFDQJDN-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.07
Rot. Bonds6

About 4-amino-2-(ethoxymethyl)butanoic acid

4-amino-2-(ethoxymethyl)butanoic acid (PubChem CID 104680964) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-amino-2-(ethoxymethyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(ethoxymethyl)butanoic acid
PubChem CID104680964
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-amino-2-(ethoxymethyl)butanoic acid
SMILESCCOCC(CCN)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-11-5-6(3-4-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyDITWQNACFDQJDN-UHFFFAOYSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
4-amino-2-(fluoromethyl)butanoic acid
CID 83815073
2-(2-aminoethyl)nonanoic acid
CID 104680899
2-(2-aminoethyl)octadecanoic acid
CID 54025424
2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
CID 106993176
2-[(4-chlorophenyl)methyl]-3-ethoxypropanoic acid
CID 103984127
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
2-(aminooxymethyl)pentanoic acid
CID 105429041
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
2-(2-aminoethyl)-4-hydroxypentanoic acid
CID 104680935
acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853
2-(aminomethyl)-7-ethoxy-5-methylheptanoic acid
CID 142270027

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethoxymethyl)butanoic acid?
The IUPAC name of 4-amino-2-(ethoxymethyl)butanoic acid (CID 104680964) is 4-amino-2-(ethoxymethyl)butanoic acid.
What is the SMILES notation for 4-amino-2-(ethoxymethyl)butanoic acid?
The canonical SMILES for 4-amino-2-(ethoxymethyl)butanoic acid is CCOCC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-(ethoxymethyl)butanoic acid?
The InChIKey is DITWQNACFDQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-11-5-6(3-4-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10).
What are the key properties of 4-amino-2-(ethoxymethyl)butanoic acid?
4-amino-2-(ethoxymethyl)butanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethoxymethyl)butanoic acid is sourced from PubChem (CID 104680964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).