2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid

C12H21NO2 — CID 71244354

IUPAC2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid
SMILESCC(C)C1CCC2(C1)CN(CC(=O)O)C2
InChIInChI=1S/C12H21NO2/c1-9(2)10-3-4-12(5-10)7-13(8-12)6-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyLXKZFBFVALXPJW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds3

About 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid

2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid (PubChem CID 71244354) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid
PubChem CID71244354
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid
SMILESCC(C)C1CCC2(C1)CN(CC(=O)O)C2
InChIInChI=1S/C12H21NO2/c1-9(2)10-3-4-12(5-10)7-13(8-12)6-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyLXKZFBFVALXPJW-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid?
The IUPAC name of 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid (CID 71244354) is 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid.
What is the SMILES notation for 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid?
The canonical SMILES for 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid is CC(C)C1CCC2(C1)CN(CC(=O)O)C2.
What is the InChIKey of 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid?
The InChIKey is LXKZFBFVALXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)10-3-4-12(5-10)7-13(8-12)6-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid?
2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid has a molecular weight of 211.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid is sourced from PubChem (CID 71244354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).