2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid

C6H12N2O3 — CID 88502632

IUPAC2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid
SMILESCC(NC(=O)C(=O)O)N(C)C
InChIInChI=1S/C6H12N2O3/c1-4(8(2)3)7-5(9)6(10)11/h4H,1-3H3,(H,7,9)(H,10,11)
InChIKeyARTPMUUJIGTPCG-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.91
Rot. Bonds2

About 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid

2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid (PubChem CID 88502632) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid
PubChem CID88502632
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid
SMILESCC(NC(=O)C(=O)O)N(C)C
InChIInChI=1S/C6H12N2O3/c1-4(8(2)3)7-5(9)6(10)11/h4H,1-3H3,(H,7,9)(H,10,11)
InChIKeyARTPMUUJIGTPCG-UHFFFAOYSA-N
XLogP-0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid?
The IUPAC name of 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid (CID 88502632) is 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid.
What is the SMILES notation for 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid?
The canonical SMILES for 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid is CC(NC(=O)C(=O)O)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid?
The InChIKey is ARTPMUUJIGTPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(8(2)3)7-5(9)6(10)11/h4H,1-3H3,(H,7,9)(H,10,11).
What are the key properties of 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid?
2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid has a molecular weight of 160.17 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethylamino]-2-oxoacetic acid is sourced from PubChem (CID 88502632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).