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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Related Compounds

2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 78971336
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
CID 114991056
N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
CID 81413077
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841

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).