3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C15H25NO5 — CID 64835221

IUPAC3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO5/c1-6-21-10(17)8-16(7-9(2)3)13(18)11-12(14(19)20)15(11,4)5/h9,11-12H,6-8H2,1-5H3,(H,19,20)
InChIKeyDWVFRELENGILLJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.39
Rot. Bonds7

About 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64835221) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64835221
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO5/c1-6-21-10(17)8-16(7-9(2)3)13(18)11-12(14(19)20)15(11,4)5/h9,11-12H,6-8H2,1-5H3,(H,19,20)
InChIKeyDWVFRELENGILLJ-UHFFFAOYSA-N
XLogP1.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
CID 63046601
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
CID 82764089
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
CID 102778708
ethyl 2-[2-methylpropyl-(2-methylpyrrolidine-3-carbonyl)amino]acetate
CID 79388606
ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
CID 93371679
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 65227189
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
CID 115426417
3-[butan-2-yl(ethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837642

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64835221) is 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CCOC(=O)CN(CC(C)C)C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is DWVFRELENGILLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-6-21-10(17)8-16(7-9(2)3)13(18)11-12(14(19)20)15(11,4)5/h9,11-12H,6-8H2,1-5H3,(H,19,20).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).