methyl 3-amino-4-ethoxybutanoate

C7H15NO3 — CID 116821263

IUPACmethyl 3-amino-4-ethoxybutanoate
SMILESCCOCC(N)CC(=O)OC
InChIInChI=1S/C7H15NO3/c1-3-11-5-6(8)4-7(9)10-2/h6H,3-5,8H2,1-2H3
InChIKeyLPLUDZOUPUVFGX-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.09
Rot. Bonds5

About methyl 3-amino-4-ethoxybutanoate

methyl 3-amino-4-ethoxybutanoate (PubChem CID 116821263) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 3-amino-4-ethoxybutanoate.

Molecular Properties

Compound Namemethyl 3-amino-4-ethoxybutanoate
PubChem CID116821263
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 3-amino-4-ethoxybutanoate
SMILESCCOCC(N)CC(=O)OC
InChIInChI=1S/C7H15NO3/c1-3-11-5-6(8)4-7(9)10-2/h6H,3-5,8H2,1-2H3
InChIKeyLPLUDZOUPUVFGX-UHFFFAOYSA-N
XLogP-0.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-amino-4-methoxybutanoate
CID 53259996
dimethyl 3-(ethoxymethyl)pentanedioate
CID 141473703
acetic acid;methyl (3S)-3-amino-4-methoxybutanoate
CID 53259995
methyl 3-amino-4-propan-2-yloxybutanoate
CID 116821262
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
methyl (3S)-3-amino-4-phenylmethoxybutanoate;hydrochloride
CID 67998622
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
methyl (3S)-3-aminotetradecanoate
CID 162514819
dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
CID 88760531
dimethyl 3,7,11,15-tetraamino-5,9,13-trihydroxyheptadecanedioate
CID 57204139
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl 3-amino-4-(2-ethylphenoxy)butanoate
CID 116821280

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-ethoxybutanoate?
The IUPAC name of methyl 3-amino-4-ethoxybutanoate (CID 116821263) is methyl 3-amino-4-ethoxybutanoate.
What is the SMILES notation for methyl 3-amino-4-ethoxybutanoate?
The canonical SMILES for methyl 3-amino-4-ethoxybutanoate is CCOCC(N)CC(=O)OC.
What is the InChIKey of methyl 3-amino-4-ethoxybutanoate?
The InChIKey is LPLUDZOUPUVFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-11-5-6(8)4-7(9)10-2/h6H,3-5,8H2,1-2H3.
What are the key properties of methyl 3-amino-4-ethoxybutanoate?
methyl 3-amino-4-ethoxybutanoate has a molecular weight of 161.20 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-ethoxybutanoate is sourced from PubChem (CID 116821263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).