ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate

C12H24N2O4 — CID 65227093

IUPACethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(CC)CN
InChIInChI=1S/C12H24N2O4/c1-4-10(8-13)12(16)14(6-7-17-3)9-11(15)18-5-2/h10H,4-9,13H2,1-3H3
InChIKeyVSWJJBAJTPWIAZ-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.01
Rot. Bonds9

About ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate

ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate (PubChem CID 65227093) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
PubChem CID65227093
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(CC)CN
InChIInChI=1S/C12H24N2O4/c1-4-10(8-13)12(16)14(6-7-17-3)9-11(15)18-5-2/h10H,4-9,13H2,1-3H3
InChIKeyVSWJJBAJTPWIAZ-UHFFFAOYSA-N
XLogP0.01
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate 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

ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
CID 54871563
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
CID 79804892
(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 78971735
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
N,N-diethyl-2-[[2-methoxyethyl(methyl)amino]methyl]butanamide
CID 143677683
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
CID 79287392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate (CID 65227093) is ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)C(CC)CN.
What is the InChIKey of ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate?
The InChIKey is VSWJJBAJTPWIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-10(8-13)12(16)14(6-7-17-3)9-11(15)18-5-2/h10H,4-9,13H2,1-3H3.
What are the key properties of ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate?
ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate has a molecular weight of 260.33 g/mol, XLogP of 0.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 65227093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).