4,7-diazaspiro[2.5]octane-7-carboxylic acid

C7H12N2O2 — CID 89157543

IUPAC4,7-diazaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)N1CCNC2(CC2)C1
InChIInChI=1S/C7H12N2O2/c10-6(11)9-4-3-8-7(5-9)1-2-7/h8H,1-5H2,(H,10,11)
InChIKeyCDCWPYHCLGWAAH-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.10
Rot. Bonds

About 4,7-diazaspiro[2.5]octane-7-carboxylic acid

4,7-diazaspiro[2.5]octane-7-carboxylic acid (PubChem CID 89157543) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4,7-diazaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name4,7-diazaspiro[2.5]octane-7-carboxylic acid
PubChem CID89157543
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4,7-diazaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)N1CCNC2(CC2)C1
InChIInChI=1S/C7H12N2O2/c10-6(11)9-4-3-8-7(5-9)1-2-7/h8H,1-5H2,(H,10,11)
InChIKeyCDCWPYHCLGWAAH-UHFFFAOYSA-N
XLogP0.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(1,7-diazaspiro[3.4]octan-7-yl)ethanone
CID 71649143
4,7-diazaspiro[2.5]octane-7-carbaldehyde;2,2,2-trifluoroacetic acid
CID 159341771
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
N-(2-methylbutan-2-yl)-4,8-diazaspiro[2.6]nonane-8-carboxamide
CID 165478698
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
8-methylsulfinyl-5,8-diazaspiro[3.5]nonane
CID 163234580
7-phenyl-4,7-diazaspiro[2.5]octane
CID 146100859
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
CID 123427706

Frequently Asked Questions

What is the IUPAC name of 4,7-diazaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 4,7-diazaspiro[2.5]octane-7-carboxylic acid (CID 89157543) is 4,7-diazaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 4,7-diazaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 4,7-diazaspiro[2.5]octane-7-carboxylic acid is O=C(O)N1CCNC2(CC2)C1.
What is the InChIKey of 4,7-diazaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is CDCWPYHCLGWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-6(11)9-4-3-8-7(5-9)1-2-7/h8H,1-5H2,(H,10,11).
What are the key properties of 4,7-diazaspiro[2.5]octane-7-carboxylic acid?
4,7-diazaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diazaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 89157543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).