2-(dimethylamino)ethyl 2-amino-2-oxoacetate

C6H12N2O3 — CID 89128247

IUPAC2-(dimethylamino)ethyl 2-amino-2-oxoacetate
SMILESCN(C)CCOC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-8(2)3-4-11-6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9)
InChIKeyNWUDQZGUJNXJAA-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.42
Rot. Bonds3

About 2-(dimethylamino)ethyl 2-amino-2-oxoacetate

2-(dimethylamino)ethyl 2-amino-2-oxoacetate (PubChem CID 89128247) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-amino-2-oxoacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-amino-2-oxoacetate
PubChem CID89128247
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(dimethylamino)ethyl 2-amino-2-oxoacetate
SMILESCN(C)CCOC(=O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-8(2)3-4-11-6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9)
InChIKeyNWUDQZGUJNXJAA-UHFFFAOYSA-N
XLogP-1.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 174335600
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
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2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
4-[2-(dimethylamino)ethoxy]-3-methyl-4-oxobut-2-enoate
CID 71372280
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-amino-2-oxoacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-amino-2-oxoacetate (CID 89128247) is 2-(dimethylamino)ethyl 2-amino-2-oxoacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-amino-2-oxoacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-amino-2-oxoacetate is CN(C)CCOC(=O)C(N)=O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-amino-2-oxoacetate?
The InChIKey is NWUDQZGUJNXJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-8(2)3-4-11-6(10)5(7)9/h3-4H2,1-2H3,(H2,7,9).
What are the key properties of 2-(dimethylamino)ethyl 2-amino-2-oxoacetate?
2-(dimethylamino)ethyl 2-amino-2-oxoacetate has a molecular weight of 160.17 g/mol, XLogP of -1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-amino-2-oxoacetate is sourced from PubChem (CID 89128247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).