methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate

C7H14N2O3 — CID 15010019

IUPACmethyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCN(C)C
InChIInChI=1S/C7H14N2O3/c1-9(2)5-4-8-6(10)7(11)12-3/h4-5H2,1-3H3,(H,8,10)
InChIKeyUOSVLPOTSAVQNQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.16
Rot. Bonds3

About methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate

methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate (PubChem CID 15010019) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate
PubChem CID15010019
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCN(C)C
InChIInChI=1S/C7H14N2O3/c1-9(2)5-4-8-6(10)7(11)12-3/h4-5H2,1-3H3,(H,8,10)
InChIKeyUOSVLPOTSAVQNQ-UHFFFAOYSA-N
XLogP-1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate (CID 15010019) is methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate is COC(=O)C(=O)NCCN(C)C.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate?
The InChIKey is UOSVLPOTSAVQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-9(2)5-4-8-6(10)7(11)12-3/h4-5H2,1-3H3,(H,8,10).
What are the key properties of methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate?
methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate has a molecular weight of 174.20 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethylamino]-2-oxoacetate is sourced from PubChem (CID 15010019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).