5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid

C15H18N2O3 — CID 123537265

IUPAC5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESNC(C(=O)N1CC2(CC2)CC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O3/c16-12(10-4-2-1-3-5-10)13(18)17-9-15(6-7-15)8-11(17)14(19)20/h1-5,11-12H,6-9,16H2,(H,19,20)
InChIKeyUPXYOGSDKIVCCS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.15
Rot. Bonds3

About 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid

5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid (PubChem CID 123537265) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
PubChem CID123537265
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESNC(C(=O)N1CC2(CC2)CC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O3/c16-12(10-4-2-1-3-5-10)13(18)17-9-15(6-7-15)8-11(17)14(19)20/h1-5,11-12H,6-9,16H2,(H,19,20)
InChIKeyUPXYOGSDKIVCCS-UHFFFAOYSA-N
XLogP1.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid?
The IUPAC name of 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid (CID 123537265) is 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid.
What is the SMILES notation for 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid?
The canonical SMILES for 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid is NC(C(=O)N1CC2(CC2)CC1C(=O)O)c1ccccc1.
What is the InChIKey of 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid?
The InChIKey is UPXYOGSDKIVCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-12(10-4-2-1-3-5-10)13(18)17-9-15(6-7-15)8-11(17)14(19)20/h1-5,11-12H,6-9,16H2,(H,19,20).
What are the key properties of 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid?
5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid is sourced from PubChem (CID 123537265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).