3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid

C14H24N2O2 — CID 138711748

IUPAC3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)CC(NC1CC1)C2
InChIInChI=1S/C14H24N2O2/c17-13(18)3-6-16-7-4-14(5-8-16)9-12(10-14)15-11-1-2-11/h11-12,15H,1-10H2,(H,17,18)
InChIKeyANDKKIZFEJDXBL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.46
Rot. Bonds5

About 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid

3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid (PubChem CID 138711748) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid
PubChem CID138711748
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)CC(NC1CC1)C2
InChIInChI=1S/C14H24N2O2/c17-13(18)3-6-16-7-4-14(5-8-16)9-12(10-14)15-11-1-2-11/h11-12,15H,1-10H2,(H,17,18)
InChIKeyANDKKIZFEJDXBL-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
The IUPAC name of 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid (CID 138711748) is 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid.
What is the SMILES notation for 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
The canonical SMILES for 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid is O=C(O)CCN1CCC2(CC1)CC(NC1CC1)C2.
What is the InChIKey of 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
The InChIKey is ANDKKIZFEJDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13(18)3-6-16-7-4-14(5-8-16)9-12(10-14)15-11-1-2-11/h11-12,15H,1-10H2,(H,17,18).
What are the key properties of 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid has a molecular weight of 252.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid is sourced from PubChem (CID 138711748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).