4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid

C12H22N2O5 — CID 65301594

IUPAC4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCCOCC(C)NC(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-19-7-8(2)13-11(18)14-9(15)6-12(3,4)10(16)17/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyCTEKOKKJCJRENZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.74
Rot. Bonds7

About 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid

4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65301594) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65301594
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCCOCC(C)NC(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-19-7-8(2)13-11(18)14-9(15)6-12(3,4)10(16)17/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyCTEKOKKJCJRENZ-UHFFFAOYSA-N
XLogP0.74
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 65300238
5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid
CID 62964497
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 104828621
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
2,2-dimethyl-4-oxo-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 65300289
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300087
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 103111189
2,2-dimethyl-4-(octan-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 106019803
4-(hex-1-yn-3-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 114161407
1-(1-ethoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115592823
4-[(3-ethoxy-3-oxopropyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65301989
2,2-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 65300338

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 65301594) is 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid is CCOCC(C)NC(=O)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is CTEKOKKJCJRENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-5-19-7-8(2)13-11(18)14-9(15)6-12(3,4)10(16)17/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65301594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).