4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid

C8H16N2O3 — CID 5138283

IUPAC4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
SMILESCN(C)CCNC(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-10(2)6-5-9-7(11)3-4-8(12)13/h3-6H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyJCEDFENUDVHGNH-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.47
Rot. Bonds6

About 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid

4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid (PubChem CID 5138283) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
PubChem CID5138283
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
SMILESCN(C)CCNC(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-10(2)6-5-9-7(11)3-4-8(12)13/h3-6H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyJCEDFENUDVHGNH-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid (CID 5138283) is 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid is CN(C)CCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
The InChIKey is JCEDFENUDVHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-10(2)6-5-9-7(11)3-4-8(12)13/h3-6H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid?
4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 5138283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).