3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid

C14H25NO3 — CID 652114

IUPAC3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)C1CCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C14H25NO3/c1-6-15(7-2)11(16)10-8-9-14(5,12(17)18)13(10,3)4/h10H,6-9H2,1-5H3,(H,17,18)
InChIKeyFRNYPAJLMPCHQD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds4

About 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid

3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (PubChem CID 652114) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
PubChem CID652114
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)C1CCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C14H25NO3/c1-6-15(7-2)11(16)10-8-9-14(5,12(17)18)13(10,3)4/h10H,6-9H2,1-5H3,(H,17,18)
InChIKeyFRNYPAJLMPCHQD-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (CID 652114) is 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is CCN(CC)C(=O)C1CCC(C)(C(=O)O)C1(C)C.
What is the InChIKey of 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is FRNYPAJLMPCHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-15(7-2)11(16)10-8-9-14(5,12(17)18)13(10,3)4/h10H,6-9H2,1-5H3,(H,17,18).
What are the key properties of 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 652114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).