2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid

C11H20N2O5 — CID 55002388

IUPAC2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-5-13(7-8(14)18-6-2)10(17)12-11(3,4)9(15)16/h5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyXRNKETCSYOIBPF-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.44
Rot. Bonds6

About 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid

2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55002388) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID55002388
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-5-13(7-8(14)18-6-2)10(17)12-11(3,4)9(15)16/h5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyXRNKETCSYOIBPF-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
CID 63644812
ethyl 2-[(2-tert-butylsulfanylacetyl)-ethylamino]acetate
CID 54901432
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid (CID 55002388) is 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid is CCOC(=O)CN(CC)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is XRNKETCSYOIBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-13(7-8(14)18-6-2)10(17)12-11(3,4)9(15)16/h5-7H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid?
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55002388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).