Tempo carboxylic acid

C10H18NO3 — CID 3080786

IUPAC—
SMILESCC1(C)CC(C(=O)O)CC(C)(C)N1[O]
InChIInChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyCYQGCJQJIOARKD-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.69
Rot. Bonds1

About Tempo carboxylic acid

Tempo carboxylic acid (PubChem CID 3080786) has the molecular formula C10H18NO3 and a molecular weight of 200.26 g/mol.

Molecular Properties

Compound NameTempo carboxylic acid
PubChem CID3080786
Molecular FormulaC10H18NO3
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name—
SMILESCC1(C)CC(C(=O)O)CC(C)(C)N1[O]
InChIInChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyCYQGCJQJIOARKD-UHFFFAOYSA-N
XLogP1.69
TPSA60.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Tempo carboxylic acid?
The IUPAC name of Tempo carboxylic acid (CID 3080786) is not available.
What is the SMILES notation for Tempo carboxylic acid?
The canonical SMILES for Tempo carboxylic acid is CC1(C)CC(C(=O)O)CC(C)(C)N1[O].
What is the InChIKey of Tempo carboxylic acid?
The InChIKey is CYQGCJQJIOARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of Tempo carboxylic acid?
Tempo carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tempo carboxylic acid is sourced from PubChem (CID 3080786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).