2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C15H24N2O4 — CID 114511800

IUPAC2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(CCC#N)CCOC)C1
InChIInChI=1S/C15H24N2O4/c1-3-11-9-12(13(10-11)15(19)20)14(18)17(6-4-5-16)7-8-21-2/h11-13H,3-4,6-10H2,1-2H3,(H,19,20)
InChIKeyLCISMKPJSFFVBQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.51
Rot. Bonds8

About 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511800) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511800
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(CCC#N)CCOC)C1
InChIInChI=1S/C15H24N2O4/c1-3-11-9-12(13(10-11)15(19)20)14(18)17(6-4-5-16)7-8-21-2/h11-13H,3-4,6-10H2,1-2H3,(H,19,20)
InChIKeyLCISMKPJSFFVBQ-UHFFFAOYSA-N
XLogP1.51
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
cis-(1R,3S)-3-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114092315
2-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876322
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313
N-(2-cyanoethyl)-N-(2-methoxyethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79884629
2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511258
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 63286424
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427191
2-[2-cyanoethyl(2-morpholin-4-ylethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60952404
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511800) is 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(CCC#N)CCOC)C1.
What is the InChIKey of 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is LCISMKPJSFFVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-11-9-12(13(10-11)15(19)20)14(18)17(6-4-5-16)7-8-21-2/h11-13H,3-4,6-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).