2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid

C11H20N2O5 — CID 79803567

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

About 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid

2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid (PubChem CID 79803567) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
PubChem CID79803567
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)CC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-5-11(6-2,9(15)16)12-10(17)13(3)7-8(14)18-4/h5-7H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyOPFHNCZKMIUXEI-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

Analyze 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656
2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 79815042
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 79803922
2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 79804394
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431007
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002383
2-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79803751
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid (CID 79803567) is 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid is CCC(CC)(NC(=O)N(C)CC(=O)OC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
The InChIKey is OPFHNCZKMIUXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-11(6-2,9(15)16)12-10(17)13(3)7-8(14)18-4/h5-7H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic 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-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 79803567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).