2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid

C14H24N2O4 — CID 63162245

IUPAC2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-10(17)11(12(18)19)15-13(20)16-8-6-14(7-9-16)4-2-3-5-14/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyIQQHOQIAMIKZSB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.19
Rot. Bonds3

About 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid

2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid (PubChem CID 63162245) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid
PubChem CID63162245
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-10(17)11(12(18)19)15-13(20)16-8-6-14(7-9-16)4-2-3-5-14/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyIQQHOQIAMIKZSB-UHFFFAOYSA-N
XLogP1.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid (CID 63162245) is 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid is CC(O)C(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O.
What is the InChIKey of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid?
The InChIKey is IQQHOQIAMIKZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(17)11(12(18)19)15-13(20)16-8-6-14(7-9-16)4-2-3-5-14/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid?
2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 63162245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).