2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid

C11H21N3O4 — CID 79804239

IUPAC2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)NC(C)(C)C(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-11(6-2,8(16)17)14-9(18)13-10(3,4)7(12)15/h5-6H2,1-4H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyKIUVFJUVACQLMZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.19
Rot. Bonds6

About 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid

2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid (PubChem CID 79804239) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid
PubChem CID79804239
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)NC(C)(C)C(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-11(6-2,8(16)17)14-9(18)13-10(3,4)7(12)15/h5-6H2,1-4H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyKIUVFJUVACQLMZ-UHFFFAOYSA-N
XLogP0.19
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-4-oxobutyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804642
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766
2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 79804484
2-(ethoxycarbonylamino)-2-ethylbutanoic acid
CID 79806785
2-ethyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]butanoic acid
CID 79803525
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080
2-[3-(diethylamino)propylcarbamoylamino]-2-ethylbutanoic acid
CID 79803733
2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804151
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid (CID 79804239) is 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)NC(C)(C)C(N)=O)C(=O)O.
What is the InChIKey of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid?
The InChIKey is KIUVFJUVACQLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-11(6-2,8(16)17)14-9(18)13-10(3,4)7(12)15/h5-6H2,1-4H3,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid?
2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid is sourced from PubChem (CID 79804239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).