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

C10H18N2O2 — CID 71649132

IUPAC2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESNCC(=O)N1CCC2(CC(CO)C2)C1
InChIInChI=1S/C10H18N2O2/c11-5-9(14)12-2-1-10(7-12)3-8(4-10)6-13/h8,13H,1-7,11H2
InChIKeyRVPZKMFADYDRBQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.43
Rot. Bonds2

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

2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (PubChem CID 71649132) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
PubChem CID71649132
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESNCC(=O)N1CCC2(CC(CO)C2)C1
InChIInChI=1S/C10H18N2O2/c11-5-9(14)12-2-1-10(7-12)3-8(4-10)6-13/h8,13H,1-7,11H2
InChIKeyRVPZKMFADYDRBQ-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-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (CID 71649132) is 2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is NCC(=O)N1CCC2(CC(CO)C2)C1.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The InChIKey is RVPZKMFADYDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-5-9(14)12-2-1-10(7-12)3-8(4-10)6-13/h8,13H,1-7,11H2.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
2-amino-1-[2-(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-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is sourced from PubChem (CID 71649132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).