1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid

C12H23NO2 — CID 80699020

IUPAC1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-5-13(6-2)12(10(14)15)8-7-11(3,4)9-12/h5-9H2,1-4H3,(H,14,15)
InChIKeyNLURYTKMSBQEBL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds4

About 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid

1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid (PubChem CID 80699020) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
PubChem CID80699020
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-5-13(6-2)12(10(14)15)8-7-11(3,4)9-12/h5-9H2,1-4H3,(H,14,15)
InChIKeyNLURYTKMSBQEBL-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid (CID 80699020) is 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid is CCN(CC)C1(C(=O)O)CCC(C)(C)C1.
What is the InChIKey of 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is NLURYTKMSBQEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-13(6-2)12(10(14)15)8-7-11(3,4)9-12/h5-9H2,1-4H3,(H,14,15).
What are the key properties of 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid?
1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 80699020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).