2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid

C11H21N3O4 — CID 79804484

IUPAC2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)C(=O)NC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-11(6-2,9(16)17)14-10(18)13-7(3)8(15)12-4/h7H,5-6H2,1-4H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyHKPQWTDUJVHQEM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.06
Rot. Bonds6

About 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid

2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid (PubChem CID 79804484) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
PubChem CID79804484
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)C(=O)NC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-11(6-2,9(16)17)14-10(18)13-7(3)8(15)12-4/h7H,5-6H2,1-4H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyHKPQWTDUJVHQEM-UHFFFAOYSA-N
XLogP0.06
TPSA107.53 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 ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
CID 61465806
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080
2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804151
2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid
CID 79804239
2-ethyl-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 79810156
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-ethyl-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232185
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107145683

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid (CID 79804484) is 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid is CCC(CC)(NC(=O)NC(C)C(=O)NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
The InChIKey is HKPQWTDUJVHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-11(6-2,9(16)17)14-10(18)13-7(3)8(15)12-4/h7H,5-6H2,1-4H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid?
2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid is sourced from PubChem (CID 79804484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).