5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid

C7H10FNO2 — CID 167180309

IUPAC5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CN1F
InChIInChI=1S/C7H10FNO2/c8-9-4-7(1-2-7)3-5(9)6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyZKAHRVXXDCMDDF-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.81
Rot. Bonds1

About 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid

5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid (PubChem CID 167180309) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid
PubChem CID167180309
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CN1F
InChIInChI=1S/C7H10FNO2/c8-9-4-7(1-2-7)3-5(9)6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyZKAHRVXXDCMDDF-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-azaspiro[4.4]nonane-3-carboxylic acid
CID 163580304
2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid
CID 91500214
5-(2-amino-3-methylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 123917731
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 166290529
tert-butyl (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158632210
5-(2-amino-2-phenylacetyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 123537265
methyl (6S)-5-chloro-5-azaspiro[2.4]heptane-6-carboxylate
CID 90201504
(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde
CID 89263594
potassium;methane;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158891517
5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 163881829
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid?
The IUPAC name of 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid (CID 167180309) is 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid.
What is the SMILES notation for 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid?
The canonical SMILES for 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid is O=C(O)C1CC2(CC2)CN1F.
What is the InChIKey of 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid?
The InChIKey is ZKAHRVXXDCMDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-9-4-7(1-2-7)3-5(9)6(10)11/h5H,1-4H2,(H,10,11).
What are the key properties of 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid?
5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid has a molecular weight of 159.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-azaspiro[2.4]heptane-6-carboxylic acid is sourced from PubChem (CID 167180309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).