4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid

C11H20N2O4 — CID 54916205

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-7-13(8-10(15)12(2)3)9(14)5-6-11(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKeyMWBLFBZMOINWLO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.18
Rot. Bonds7

About 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid

4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid (PubChem CID 54916205) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
PubChem CID54916205
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-7-13(8-10(15)12(2)3)9(14)5-6-11(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKeyMWBLFBZMOINWLO-UHFFFAOYSA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
CID 146341512
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61042046
3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 81087870
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid (CID 54916205) is 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid is CCCN(CC(=O)N(C)C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
The InChIKey is MWBLFBZMOINWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-7-13(8-10(15)12(2)3)9(14)5-6-11(16)17/h4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 54916205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).