3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid

C11H22N2O3 — CID 79621524

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid
SMILESCCN(CC(=O)N(C)C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-13(7-9(14)12(4)5)8-11(2,3)10(15)16/h6-8H2,1-5H3,(H,15,16)
InChIKeyJUFNVPAMIXXKCN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.51
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid

3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid (PubChem CID 79621524) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid
PubChem CID79621524
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid
SMILESCCN(CC(=O)N(C)C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-13(7-9(14)12(4)5)8-11(2,3)10(15)16/h6-8H2,1-5H3,(H,15,16)
InChIKeyJUFNVPAMIXXKCN-UHFFFAOYSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308163
2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
CID 107446461
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 22902542
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanamide
CID 60970889
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
CID 62031688
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
CID 43588549
N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
CID 119652831
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid (CID 79621524) is 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid is CCN(CC(=O)N(C)C)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid?
The InChIKey is JUFNVPAMIXXKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-13(7-9(14)12(4)5)8-11(2,3)10(15)16/h6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid?
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79621524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).