4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid

C15H26N2O4 — CID 66001048

IUPAC4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCC2(CCCC2)CC1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-14(21,10-12(18)19)11-16-13(20)17-8-6-15(7-9-17)4-2-3-5-15/h21H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeySHVYFGMTTCCPJS-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.58
Rot. Bonds4

About 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid

4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001048) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid
PubChem CID66001048
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCC2(CCCC2)CC1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-14(21,10-12(18)19)11-16-13(20)17-8-6-15(7-9-17)4-2-3-5-15/h21H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeySHVYFGMTTCCPJS-UHFFFAOYSA-N
XLogP1.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid (CID 66001048) is 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)N1CCC2(CCCC2)CC1)CC(=O)O.
What is the InChIKey of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid?
The InChIKey is SHVYFGMTTCCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(21,10-12(18)19)11-16-13(20)17-8-6-15(7-9-17)4-2-3-5-15/h21H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid?
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).