3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid

C11H22N2O3 — CID 115427950

IUPAC3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(N)(CC)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(12,6-2)8(14)13-7-10(3,4)9(15)16/h5-7,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyUICOUBJXUDEJQG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds6

About 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid

3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115427950) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid
PubChem CID115427950
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(N)(CC)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-11(12,6-2)8(14)13-7-10(3,4)9(15)16/h5-7,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyUICOUBJXUDEJQG-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
2-amino-2-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 106147988
3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427935
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428434
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
2-amino-2-ethyl-N-(2-methylprop-2-enyl)butanamide
CID 114617063
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid (CID 115427950) is 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid is CCC(N)(CC)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is UICOUBJXUDEJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-11(12,6-2)8(14)13-7-10(3,4)9(15)16/h5-7,12H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid?
3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).