2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid

C11H22N2O3 — CID 79804517

IUPAC2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCCN(C)C(=O)CNC(CC)(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(6-2,10(15)16)12-8-9(14)13(4)7-3/h12H,5-8H2,1-4H3,(H,15,16)
InChIKeyIWRDLOUOOVMBEW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds7

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

2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid (PubChem CID 79804517) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
PubChem CID79804517
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCCN(C)C(=O)CNC(CC)(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(6-2,10(15)16)12-8-9(14)13(4)7-3/h12H,5-8H2,1-4H3,(H,15,16)
InChIKeyIWRDLOUOOVMBEW-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79803856
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
N-ethyl-2-[(2-ethyl-2-hydroxybutyl)amino]-N-methylacetamide
CID 65111085
2-ethyl-2-(pentan-3-ylamino)butanoic acid
CID 78969356
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750
2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
CID 79803537
N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide
CID 113234324
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
2-(cyanomethylamino)-2-ethylbutanoic acid
CID 79810338
N-ethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-methylacetamide
CID 107649223
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79810348
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid (CID 79804517) is 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid is CCN(C)C(=O)CNC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid?
The InChIKey is IWRDLOUOOVMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-11(6-2,10(15)16)12-8-9(14)13(4)7-3/h12H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid?
2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 79804517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).