2-azaspiro[3.3]heptane-3-carboxylic acid

C7H11NO2 — CID 122163855

IUPAC2-azaspiro[3.3]heptane-3-carboxylic acid
SMILESO=C(O)C1NCC12CCC2
InChIInChI=1S/C7H11NO2/c9-6(10)5-7(4-8-5)2-1-3-7/h5,8H,1-4H2,(H,9,10)
InChIKeyMRDSCWQPHBCAGM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds1

About 2-azaspiro[3.3]heptane-3-carboxylic acid

2-azaspiro[3.3]heptane-3-carboxylic acid (PubChem CID 122163855) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptane-3-carboxylic acid.

Molecular Properties

Compound Name2-azaspiro[3.3]heptane-3-carboxylic acid
PubChem CID122163855
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-azaspiro[3.3]heptane-3-carboxylic acid
SMILESO=C(O)C1NCC12CCC2
InChIInChI=1S/C7H11NO2/c9-6(10)5-7(4-8-5)2-1-3-7/h5,8H,1-4H2,(H,9,10)
InChIKeyMRDSCWQPHBCAGM-UHFFFAOYSA-N
XLogP0.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptane-3-carboxylic acid?
The IUPAC name of 2-azaspiro[3.3]heptane-3-carboxylic acid (CID 122163855) is 2-azaspiro[3.3]heptane-3-carboxylic acid.
What is the SMILES notation for 2-azaspiro[3.3]heptane-3-carboxylic acid?
The canonical SMILES for 2-azaspiro[3.3]heptane-3-carboxylic acid is O=C(O)C1NCC12CCC2.
What is the InChIKey of 2-azaspiro[3.3]heptane-3-carboxylic acid?
The InChIKey is MRDSCWQPHBCAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6(10)5-7(4-8-5)2-1-3-7/h5,8H,1-4H2,(H,9,10).
What are the key properties of 2-azaspiro[3.3]heptane-3-carboxylic acid?
2-azaspiro[3.3]heptane-3-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptane-3-carboxylic acid is sourced from PubChem (CID 122163855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).