2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone

C10H19N3O — CID 97168946

IUPAC2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone
SMILESNCC(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1
InChIInChI=1S/C10H19N3O/c11-6-9(14)13-4-3-10(7-13)2-1-8(12)5-10/h8H,1-7,11-12H2/t8-,10-/m1/s1
InChIKeyVFFVIOHSBTZMFW-PSASIEDQSA-N
MW197.28 g/mol
LogP-0.32
Rot. Bonds1

About 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone

2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone (PubChem CID 97168946) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone
PubChem CID97168946
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone
SMILESNCC(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1
InChIInChI=1S/C10H19N3O/c11-6-9(14)13-4-3-10(7-13)2-1-8(12)5-10/h8H,1-7,11-12H2/t8-,10-/m1/s1
InChIKeyVFFVIOHSBTZMFW-PSASIEDQSA-N
XLogP-0.32
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone?
The IUPAC name of 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone (CID 97168946) is 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone is NCC(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1.
What is the InChIKey of 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone?
The InChIKey is VFFVIOHSBTZMFW-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19N3O/c11-6-9(14)13-4-3-10(7-13)2-1-8(12)5-10/h8H,1-7,11-12H2/t8-,10-/m1/s1.
What are the key properties of 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone?
2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone is sourced from PubChem (CID 97168946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).