[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine

C7H13NO — CID 124508591

IUPAC[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
SMILESNC[C@@H]1C[C@]12CCOC2
InChIInChI=1S/C7H13NO/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5,8H2/t6-,7-/m0/s1
InChIKeyBSESSGRISLUQGE-BQBZGAKWSA-N
MW127.19 g/mol
LogP0.37
Rot. Bonds1

About [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine

[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine (PubChem CID 124508591) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
PubChem CID124508591
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
SMILESNC[C@@H]1C[C@]12CCOC2
InChIInChI=1S/C7H13NO/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5,8H2/t6-,7-/m0/s1
InChIKeyBSESSGRISLUQGE-BQBZGAKWSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine?
The IUPAC name of [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine (CID 124508591) is [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine.
What is the SMILES notation for [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine?
The canonical SMILES for [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine is NC[C@@H]1C[C@]12CCOC2.
What is the InChIKey of [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine?
The InChIKey is BSESSGRISLUQGE-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NO/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5,8H2/t6-,7-/m0/s1.
What are the key properties of [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine?
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine has a molecular weight of 127.19 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine is sourced from PubChem (CID 124508591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).