3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid

C11H20N2O5 — CID 114897564

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
SMILESCOCCN(CC(=O)N(C)C)C(=O)C(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-8(11(16)17)10(15)13(5-6-18-4)7-9(14)12(2)3/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyHFTOWQAKDKEVQA-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.73
Rot. Bonds7

About 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid

3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid (PubChem CID 114897564) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
PubChem CID114897564
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
SMILESCOCCN(CC(=O)N(C)C)C(=O)C(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-8(11(16)17)10(15)13(5-6-18-4)7-9(14)12(2)3/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyHFTOWQAKDKEVQA-UHFFFAOYSA-N
XLogP-0.73
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid (CID 114897564) is 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid is COCCN(CC(=O)N(C)C)C(=O)C(C)C(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid?
The InChIKey is HFTOWQAKDKEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(11(16)17)10(15)13(5-6-18-4)7-9(14)12(2)3/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid?
3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114897564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).