3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid

C16H29NO2 — CID 79694190

IUPAC3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(C)N1CC2(CCCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-14(2,13(18)19)15(3,4)17-11-16(12-17)9-7-5-6-8-10-16/h5-12H2,1-4H3,(H,18,19)
InChIKeyUDTHWQBYWMQKFL-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds3

About 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid

3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid (PubChem CID 79694190) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid
PubChem CID79694190
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(C)N1CC2(CCCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-14(2,13(18)19)15(3,4)17-11-16(12-17)9-7-5-6-8-10-16/h5-12H2,1-4H3,(H,18,19)
InChIKeyUDTHWQBYWMQKFL-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid (CID 79694190) is 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid is CC(C)(C(=O)O)C(C)(C)N1CC2(CCCCCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid?
The InChIKey is UDTHWQBYWMQKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14(2,13(18)19)15(3,4)17-11-16(12-17)9-7-5-6-8-10-16/h5-12H2,1-4H3,(H,18,19).
What are the key properties of 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid?
3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 79694190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).