1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H22N2O4 — CID 63285133

IUPAC1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(CCC#N)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H22N2O4/c1-20-10-9-16(8-4-7-15)12(17)11-14(13(18)19)5-2-3-6-14/h2-6,8-11H2,1H3,(H,18,19)
InChIKeyIOJUTYCEPDWLMP-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.41
Rot. Bonds8

About 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 63285133) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID63285133
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(CCC#N)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H22N2O4/c1-20-10-9-16(8-4-7-15)12(17)11-14(13(18)19)5-2-3-6-14/h2-6,8-11H2,1H3,(H,18,19)
InChIKeyIOJUTYCEPDWLMP-UHFFFAOYSA-N
XLogP1.41
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63286611
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 63286552
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
5-[2-cyanoethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 63285346
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
cis-(1R,3S)-3-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114092315
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313
N-(2-cyanoethyl)-N-(2-methoxyethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79884629

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 63285133) is 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is COCCN(CCC#N)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is IOJUTYCEPDWLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-10-9-16(8-4-7-15)12(17)11-14(13(18)19)5-2-3-6-14/h2-6,8-11H2,1H3,(H,18,19).
What are the key properties of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63285133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).