6-(methylamino)spiro[2.5]octane-2-carboxylic acid

C10H17NO2 — CID 129319663

IUPAC6-(methylamino)spiro[2.5]octane-2-carboxylic acid
SMILESCNC1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C10H17NO2/c1-11-7-2-4-10(5-3-7)6-8(10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyVENVQSWMKGZHHU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds2

About 6-(methylamino)spiro[2.5]octane-2-carboxylic acid

6-(methylamino)spiro[2.5]octane-2-carboxylic acid (PubChem CID 129319663) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-(methylamino)spiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)spiro[2.5]octane-2-carboxylic acid
PubChem CID129319663
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name6-(methylamino)spiro[2.5]octane-2-carboxylic acid
SMILESCNC1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C10H17NO2/c1-11-7-2-4-10(5-3-7)6-8(10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyVENVQSWMKGZHHU-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid (CID 129319663) is 6-(methylamino)spiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(methylamino)spiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(methylamino)spiro[2.5]octane-2-carboxylic acid is CNC1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid?
The InChIKey is VENVQSWMKGZHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-7-2-4-10(5-3-7)6-8(10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid?
6-(methylamino)spiro[2.5]octane-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)spiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 129319663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).