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

C16H28N2O3 — CID 63162376

IUPAC2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-15(2,3)12(13(19)20)17-14(21)18-10-8-16(9-11-18)6-4-5-7-16/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyJOZNQEBVSFXYOB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds2

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

2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid (PubChem CID 63162376) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
PubChem CID63162376
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-15(2,3)12(13(19)20)17-14(21)18-10-8-16(9-11-18)6-4-5-7-16/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyJOZNQEBVSFXYOB-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 62931543
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859
3,3-dimethyl-2-(piperidine-1-carbonylamino)butanoic acid
CID 61181637
(2S)-2-(azepane-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61188548
3,3-dimethyl-2-(1,4-oxazepane-4-carbonylamino)butanoic acid
CID 62967808
2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid
CID 63162162
(2S)-2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61442803
3,3-dimethyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61440254
(2R)-2-(8-azaspiro[4.5]decane-8-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104910293
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353177
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61403898
(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927826

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid (CID 63162376) is 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O.
What is the InChIKey of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid?
The InChIKey is JOZNQEBVSFXYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)12(13(19)20)17-14(21)18-10-8-16(9-11-18)6-4-5-7-16/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid?
2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 63162376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).