3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid

C14H28N2O3 — CID 65265678

IUPAC3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)C(=O)C(C)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-8-16(9-2)11(17)10(3)15-14(6,7)13(4,5)12(18)19/h10,15H,8-9H2,1-7H3,(H,18,19)
InChIKeyUEIBWCVPDUEKAO-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.72
Rot. Bonds7

About 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid

3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265678) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65265678
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)C(=O)C(C)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-8-16(9-2)11(17)10(3)15-14(6,7)13(4,5)12(18)19/h10,15H,8-9H2,1-7H3,(H,18,19)
InChIKeyUEIBWCVPDUEKAO-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
CID 81413077
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
2,2,3-trimethyl-3-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 65265142
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid (CID 65265678) is 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid is CCN(CC)C(=O)C(C)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is UEIBWCVPDUEKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-8-16(9-2)11(17)10(3)15-14(6,7)13(4,5)12(18)19/h10,15H,8-9H2,1-7H3,(H,18,19).
What are the key properties of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid?
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).