amino oxane-4-carboxylate;hydrochloride

C6H12ClNO3 — CID 75493001

IUPACamino oxane-4-carboxylate;hydrochloride
SMILESCl.NOC(=O)C1CCOCC1
InChIInChI=1S/C6H11NO3.ClH/c7-10-6(8)5-1-3-9-4-2-5;/h5H,1-4,7H2;1H
InChIKeyQEBDDVQXFGZANX-UHFFFAOYSA-N
MW181.62 g/mol
LogP0.25
Rot. Bonds1

About amino oxane-4-carboxylate;hydrochloride

amino oxane-4-carboxylate;hydrochloride (PubChem CID 75493001) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is amino oxane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameamino oxane-4-carboxylate;hydrochloride
PubChem CID75493001
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Nameamino oxane-4-carboxylate;hydrochloride
SMILESCl.NOC(=O)C1CCOCC1
InChIInChI=1S/C6H11NO3.ClH/c7-10-6(8)5-1-3-9-4-2-5;/h5H,1-4,7H2;1H
InChIKeyQEBDDVQXFGZANX-UHFFFAOYSA-N
XLogP0.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino oxane-4-carboxylate;hydrochloride?
The IUPAC name of amino oxane-4-carboxylate;hydrochloride (CID 75493001) is amino oxane-4-carboxylate;hydrochloride.
What is the SMILES notation for amino oxane-4-carboxylate;hydrochloride?
The canonical SMILES for amino oxane-4-carboxylate;hydrochloride is Cl.NOC(=O)C1CCOCC1.
What is the InChIKey of amino oxane-4-carboxylate;hydrochloride?
The InChIKey is QEBDDVQXFGZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c7-10-6(8)5-1-3-9-4-2-5;/h5H,1-4,7H2;1H.
What are the key properties of amino oxane-4-carboxylate;hydrochloride?
amino oxane-4-carboxylate;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino oxane-4-carboxylate;hydrochloride is sourced from PubChem (CID 75493001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).