2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid

C17H20N2O2 — CID 79690006

IUPAC2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)N1CC2(CCC2)C1
InChIInChI=1S/C17H20N2O2/c20-16(21)15(19-10-17(11-19)6-3-7-17)8-12-9-18-14-5-2-1-4-13(12)14/h1-2,4-5,9,15,18H,3,6-8,10-11H2,(H,20,21)
InChIKeyCGDXLFWMJZRIAM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.65
Rot. Bonds4

About 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid

2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid (PubChem CID 79690006) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid
PubChem CID79690006
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)N1CC2(CCC2)C1
InChIInChI=1S/C17H20N2O2/c20-16(21)15(19-10-17(11-19)6-3-7-17)8-12-9-18-14-5-2-1-4-13(12)14/h1-2,4-5,9,15,18H,3,6-8,10-11H2,(H,20,21)
InChIKeyCGDXLFWMJZRIAM-UHFFFAOYSA-N
XLogP2.65
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
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(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid (CID 79690006) is 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid is O=C(O)C(Cc1c[nH]c2ccccc12)N1CC2(CCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is CGDXLFWMJZRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(21)15(19-10-17(11-19)6-3-7-17)8-12-9-18-14-5-2-1-4-13(12)14/h1-2,4-5,9,15,18H,3,6-8,10-11H2,(H,20,21).
What are the key properties of 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid?
2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.3]heptan-2-yl)-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 79690006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).