4-aminooxybutanoic acid;hydrochloride

C4H10ClNO3 — CID 71361272

IUPAC4-aminooxybutanoic acid;hydrochloride
SMILESCl.NOCCCC(=O)O
InChIInChI=1S/C4H9NO3.ClH/c5-8-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H
InChIKeyYHRQKRFZKOHLBA-UHFFFAOYSA-N
MW155.58 g/mol
LogP0.16
Rot. Bonds4

About 4-aminooxybutanoic acid;hydrochloride

4-aminooxybutanoic acid;hydrochloride (PubChem CID 71361272) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is 4-aminooxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-aminooxybutanoic acid;hydrochloride
PubChem CID71361272
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Name4-aminooxybutanoic acid;hydrochloride
SMILESCl.NOCCCC(=O)O
InChIInChI=1S/C4H9NO3.ClH/c5-8-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H
InChIKeyYHRQKRFZKOHLBA-UHFFFAOYSA-N
XLogP0.16
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-aminooxypentanoic acid
CID 14989418
19-aminooxynonadecanoic acid
CID 145081852
CID 166530547
CID 166530547
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
methyl 4-aminooxybutanoate
CID 54367972
hexanedioic acid;λ2-stannane;hydrochloride
CID 174930220
heptanedioic acid;dihydrochloride
CID 87431923
4-aminobutanoic acid;dihydrochloride
CID 87111723
butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
8-(3-carboxypropoxy)octanoic acid
CID 154155651

Frequently Asked Questions

What is the IUPAC name of 4-aminooxybutanoic acid;hydrochloride?
The IUPAC name of 4-aminooxybutanoic acid;hydrochloride (CID 71361272) is 4-aminooxybutanoic acid;hydrochloride.
What is the SMILES notation for 4-aminooxybutanoic acid;hydrochloride?
The canonical SMILES for 4-aminooxybutanoic acid;hydrochloride is Cl.NOCCCC(=O)O.
What is the InChIKey of 4-aminooxybutanoic acid;hydrochloride?
The InChIKey is YHRQKRFZKOHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c5-8-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H.
What are the key properties of 4-aminooxybutanoic acid;hydrochloride?
4-aminooxybutanoic acid;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxybutanoic acid;hydrochloride is sourced from PubChem (CID 71361272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).