methyl 4-aminooxybutanoate

C5H11NO3 — CID 54367972

IUPACmethyl 4-aminooxybutanoate
SMILESCOC(=O)CCCON
InChIInChI=1S/C5H11NO3/c1-8-5(7)3-2-4-9-6/h2-4,6H2,1H3
InChIKeyFUUBPYWVWFTFGV-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.17
Rot. Bonds4

About methyl 4-aminooxybutanoate

methyl 4-aminooxybutanoate (PubChem CID 54367972) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl 4-aminooxybutanoate.

Molecular Properties

Compound Namemethyl 4-aminooxybutanoate
PubChem CID54367972
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl 4-aminooxybutanoate
SMILESCOC(=O)CCCON
InChIInChI=1S/C5H11NO3/c1-8-5(7)3-2-4-9-6/h2-4,6H2,1H3
InChIKeyFUUBPYWVWFTFGV-UHFFFAOYSA-N
XLogP-0.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl hexanedioate;stannane
CID 173290076
methyl 4-methoxybutanoate
CID 542317
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 4-chloro(111C)butanoate
CID 11579134
methyl 4-ethoxycarbonyloxybutanoate
CID 140976798
dimethyl hexanedioate;molecular hydrogen
CID 173272620
hydrazine;methyl pentanoate
CID 88709772
methyl 4-aminobutanoate;dihydrochloride
CID 170991800

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminooxybutanoate?
The IUPAC name of methyl 4-aminooxybutanoate (CID 54367972) is methyl 4-aminooxybutanoate.
What is the SMILES notation for methyl 4-aminooxybutanoate?
The canonical SMILES for methyl 4-aminooxybutanoate is COC(=O)CCCON.
What is the InChIKey of methyl 4-aminooxybutanoate?
The InChIKey is FUUBPYWVWFTFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-8-5(7)3-2-4-9-6/h2-4,6H2,1H3.
What are the key properties of methyl 4-aminooxybutanoate?
methyl 4-aminooxybutanoate has a molecular weight of 133.15 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminooxybutanoate is sourced from PubChem (CID 54367972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).