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

C12H24N2O3 — CID 79789393

IUPAC2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
SMILESCCN(CC)C(=O)C(C)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(5,11(16)17)13-9(4)10(15)14(7-2)8-3/h9,13H,6-8H2,1-5H3,(H,16,17)
InChIKeyFPWYVFRLRICVNL-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.09
Rot. Bonds7

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

2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid (PubChem CID 79789393) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
PubChem CID79789393
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
SMILESCCN(CC)C(=O)C(C)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(5,11(16)17)13-9(4)10(15)14(7-2)8-3/h9,13H,6-8H2,1-5H3,(H,16,17)
InChIKeyFPWYVFRLRICVNL-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid (CID 79789393) is 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid is CCN(CC)C(=O)C(C)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
The InChIKey is FPWYVFRLRICVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-12(5,11(16)17)13-9(4)10(15)14(7-2)8-3/h9,13H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid?
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79789393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).