(6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 127263529

IUPAC(6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C7H11NO2.ClH/c9-6(10)5-3-7(1-2-7)4-8-5;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1
InChIKeyBRRSGWFCZURAAE-JEDNCBNOSA-N
MW177.63 g/mol
LogP0.63
Rot. Bonds1

About (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride

(6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride (PubChem CID 127263529) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
PubChem CID127263529
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C7H11NO2.ClH/c9-6(10)5-3-7(1-2-7)4-8-5;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1
InChIKeyBRRSGWFCZURAAE-JEDNCBNOSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
The IUPAC name of (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride (CID 127263529) is (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride.
What is the SMILES notation for (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
The canonical SMILES for (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CC2(CC2)CN1.
What is the InChIKey of (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
The InChIKey is BRRSGWFCZURAAE-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c9-6(10)5-3-7(1-2-7)4-8-5;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1.
What are the key properties of (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
(6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 127263529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).