8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride

C9H16ClNO4 — CID 155675545

IUPAC8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C9H15NO4.ClH/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9;/h1-6,10H2,(H,11,12);1H
InChIKeyFNDSVFNPRVAYDU-UHFFFAOYSA-N
MW237.68 g/mol
LogP0.51
Rot. Bonds1

About 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride

8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride (PubChem CID 155675545) has the molecular formula C9H16ClNO4 and a molecular weight of 237.68 g/mol. Its IUPAC name is 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride
PubChem CID155675545
Molecular FormulaC9H16ClNO4
Molecular Weight237.68 g/mol
Exact Mass237.08
IUPAC Name8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C9H15NO4.ClH/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9;/h1-6,10H2,(H,11,12);1H
InChIKeyFNDSVFNPRVAYDU-UHFFFAOYSA-N
XLogP0.51
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride?
The IUPAC name of 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride (CID 155675545) is 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride?
The canonical SMILES for 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride?
The InChIKey is FNDSVFNPRVAYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4.ClH/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9;/h1-6,10H2,(H,11,12);1H.
What are the key properties of 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride?
8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 155675545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).