2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid

C12H24N2O3 — CID 79803868

IUPAC2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CNC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(7-2,10(16)17)14-9(15)8-13-11(3,4)5/h13H,6-8H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyKYKXABLCZOBBKT-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.13
Rot. Bonds6

About 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid

2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid (PubChem CID 79803868) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
PubChem CID79803868
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CNC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(7-2,10(16)17)14-9(15)8-13-11(3,4)5/h13H,6-8H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyKYKXABLCZOBBKT-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79810348
2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803865
2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
CID 79803793
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid
CID 79803621
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750
2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
CID 79803537
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
2-[(4-ethoxy-4-oxobutanoyl)amino]-2-ethylbutanoic acid
CID 79806465
2-(tert-butylamino)-N-propylacetamide
CID 28586578

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid (CID 79803868) is 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)CNC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid?
The InChIKey is KYKXABLCZOBBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-12(7-2,10(16)17)14-9(15)8-13-11(3,4)5/h13H,6-8H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid?
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79803868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).