2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone

C10H18N2O2 — CID 121204386

IUPAC2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESNCC(=O)N1CC(CO)C2(CCC2)C1
InChIInChI=1S/C10H18N2O2/c11-4-9(14)12-5-8(6-13)10(7-12)2-1-3-10/h8,13H,1-7,11H2
InChIKeyIDTGUBUSICEJIJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.43
Rot. Bonds2

About 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone

2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (PubChem CID 121204386) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
PubChem CID121204386
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESNCC(=O)N1CC(CO)C2(CCC2)C1
InChIInChI=1S/C10H18N2O2/c11-4-9(14)12-5-8(6-13)10(7-12)2-1-3-10/h8,13H,1-7,11H2
InChIKeyIDTGUBUSICEJIJ-UHFFFAOYSA-N
XLogP-0.43
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The IUPAC name of 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (CID 121204386) is 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.
What is the SMILES notation for 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The canonical SMILES for 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is NCC(=O)N1CC(CO)C2(CCC2)C1.
What is the InChIKey of 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The InChIKey is IDTGUBUSICEJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-4-9(14)12-5-8(6-13)10(7-12)2-1-3-10/h8,13H,1-7,11H2.
What are the key properties of 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone has a molecular weight of 198.27 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is sourced from PubChem (CID 121204386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).