3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid

C11H22N2O4 — CID 79619625

IUPAC3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
SMILESCOCCNC(=O)CN(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,10(15)16)8-13(3)7-9(14)12-5-6-17-4/h5-8H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyFYLPFBHUBXCMSQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.21
Rot. Bonds8

About 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid

3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid (PubChem CID 79619625) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
PubChem CID79619625
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
SMILESCOCCNC(=O)CN(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,10(15)16)8-13(3)7-9(14)12-5-6-17-4/h5-8H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyFYLPFBHUBXCMSQ-UHFFFAOYSA-N
XLogP-0.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 78954285
2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
CID 177054890
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 65247102
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
N-(2-methoxyethyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60691530
2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 113219210
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 63760314
2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 79815042
4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid (CID 79619625) is 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid is COCCNC(=O)CN(C)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid?
The InChIKey is FYLPFBHUBXCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,10(15)16)8-13(3)7-9(14)12-5-6-17-4/h5-8H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid?
3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79619625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).