2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid

C13H25N3O4 — CID 79810348

IUPAC2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NCC(=O)NC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-6-13(7-2,10(18)19)14-8-9(17)15-11(20)16-12(3,4)5/h14H,6-8H2,1-5H3,(H,18,19)(H2,15,16,17,20)
InChIKeyDEWZQTXBMGGDCP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.84
Rot. Bonds6

About 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid

2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid (PubChem CID 79810348) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
PubChem CID79810348
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NCC(=O)NC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-6-13(7-2,10(18)19)14-8-9(17)15-11(20)16-12(3,4)5/h14H,6-8H2,1-5H3,(H,18,19)(H2,15,16,17,20)
InChIKeyDEWZQTXBMGGDCP-UHFFFAOYSA-N
XLogP0.84
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
CID 79803537
2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79809115
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
2-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid
CID 43237537
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750
2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
CID 79790704
2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
CID 79803793
2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79804517
2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
CID 79812535
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
CID 9263209

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid (CID 79810348) is 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid is CCC(CC)(NCC(=O)NC(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid?
The InChIKey is DEWZQTXBMGGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-6-13(7-2,10(18)19)14-8-9(17)15-11(20)16-12(3,4)5/h14H,6-8H2,1-5H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid?
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79810348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).