N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide

C12H20N2O2 — CID 170193989

IUPACN-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCC2(CC2)C1
InChIInChI=1S/C12H20N2O2/c15-11(13-7-10-1-6-16-8-10)14-5-4-12(9-14)2-3-12/h10H,1-9H2,(H,13,15)/t10-/m0/s1
InChIKeyFNDFXLHUKFFQPD-JTQLQIEISA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds2

About N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide

N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 170193989) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID170193989
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCC2(CC2)C1
InChIInChI=1S/C12H20N2O2/c15-11(13-7-10-1-6-16-8-10)14-5-4-12(9-14)2-3-12/h10H,1-9H2,(H,13,15)/t10-/m0/s1
InChIKeyFNDFXLHUKFFQPD-JTQLQIEISA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 170193989) is N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide is O=C(NC[C@@H]1CCOC1)N1CCC2(CC2)C1.
What is the InChIKey of N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is FNDFXLHUKFFQPD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11(13-7-10-1-6-16-8-10)14-5-4-12(9-14)2-3-12/h10H,1-9H2,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxolan-3-yl]methyl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 170193989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).