2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid

C10H20N2O3 — CID 78971336

IUPAC2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6-10(3,9(14)15)11-7(2)8(13)12(4)5/h7,11H,6H2,1-5H3,(H,14,15)
InChIKeyIFVCQKTXZIEEEZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds5

About 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid

2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid (PubChem CID 78971336) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
PubChem CID78971336
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6-10(3,9(14)15)11-7(2)8(13)12(4)5/h7,11H,6H2,1-5H3,(H,14,15)
InChIKeyIFVCQKTXZIEEEZ-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid (CID 78971336) is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid is CCC(C)(NC(C)C(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
The InChIKey is IFVCQKTXZIEEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6-10(3,9(14)15)11-7(2)8(13)12(4)5/h7,11H,6H2,1-5H3,(H,14,15).
What are the key properties of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 78971336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).