methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate

C12H23N3O4 — CID 47454094

IUPACmethyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)NC(N)=O)CC(=O)OC
InChIInChI=1S/C12H23N3O4/c1-4-9(5-2)6-15(8-11(17)19-3)7-10(16)14-12(13)18/h9H,4-8H2,1-3H3,(H3,13,14,16,18)
InChIKeyMXIRXNYWPARESX-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.09
Rot. Bonds8

About methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate

methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate (PubChem CID 47454094) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate
PubChem CID47454094
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Namemethyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)NC(N)=O)CC(=O)OC
InChIInChI=1S/C12H23N3O4/c1-4-9(5-2)6-15(8-11(17)19-3)7-10(16)14-12(13)18/h9H,4-8H2,1-3H3,(H3,13,14,16,18)
InChIKeyMXIRXNYWPARESX-UHFFFAOYSA-N
XLogP0.09
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate?
The IUPAC name of methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate (CID 47454094) is methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate.
What is the SMILES notation for methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate?
The canonical SMILES for methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate is CCC(CC)CN(CC(=O)NC(N)=O)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate?
The InChIKey is MXIRXNYWPARESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-9(5-2)6-15(8-11(17)19-3)7-10(16)14-12(13)18/h9H,4-8H2,1-3H3,(H3,13,14,16,18).
What are the key properties of methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate?
methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate has a molecular weight of 273.33 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(carbamoylamino)-2-oxoethyl]-(2-ethylbutyl)amino]acetate is sourced from PubChem (CID 47454094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).