2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid

C15H19NO3 — CID 10149268

IUPAC2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19NO3/c1-3-16(4-2)14(19)15(10-12(15)13(17)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyXGGWVLCLGMDOJE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds5

About 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid

2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 10149268) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid
PubChem CID10149268
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19NO3/c1-3-16(4-2)14(19)15(10-12(15)13(17)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyXGGWVLCLGMDOJE-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid (CID 10149268) is 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid is CCN(CC)C(=O)C1(c2ccccc2)CC1C(=O)O.
What is the InChIKey of 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is XGGWVLCLGMDOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-16(4-2)14(19)15(10-12(15)13(17)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid?
2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10149268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).