2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide

C10H17FN2O — CID 169036387

IUPAC2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)CC1CC12CCN(C(N)=O)C2
InChIInChI=1S/C10H17FN2O/c1-7(11)4-8-5-10(8)2-3-13(6-10)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)/t7-,8?,10?/m0/s1
InChIKeyCZUKDJMCNJTUKG-JEUQWKINSA-N
MW200.26 g/mol
LogP1.53
Rot. Bonds2

About 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide

2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 169036387) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID169036387
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)CC1CC12CCN(C(N)=O)C2
InChIInChI=1S/C10H17FN2O/c1-7(11)4-8-5-10(8)2-3-13(6-10)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)/t7-,8?,10?/m0/s1
InChIKeyCZUKDJMCNJTUKG-JEUQWKINSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 169036387) is 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide is C[C@H](F)CC1CC12CCN(C(N)=O)C2.
What is the InChIKey of 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is CZUKDJMCNJTUKG-JEUQWKINSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7(11)4-8-5-10(8)2-3-13(6-10)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)/t7-,8?,10?/m0/s1.
What are the key properties of 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide?
2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 169036387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).