ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate

C15H22N2O3 — CID 120873605

IUPACethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)CC(C)N
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)11-17(14(18)9-12(2)16)10-13-7-5-4-6-8-13/h4-8,12H,3,9-11,16H2,1-2H3
InChIKeyXNMMFDRFJNYMRI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds7

About ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate

ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate (PubChem CID 120873605) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
PubChem CID120873605
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)CC(C)N
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)11-17(14(18)9-12(2)16)10-13-7-5-4-6-8-13/h4-8,12H,3,9-11,16H2,1-2H3
InChIKeyXNMMFDRFJNYMRI-UHFFFAOYSA-N
XLogP1.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-aminobutanoyl(benzyl)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-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
CID 78925570
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate?
The IUPAC name of ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate (CID 120873605) is ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate?
The canonical SMILES for ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)CC(C)N.
What is the InChIKey of ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate?
The InChIKey is XNMMFDRFJNYMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(19)11-17(14(18)9-12(2)16)10-13-7-5-4-6-8-13/h4-8,12H,3,9-11,16H2,1-2H3.
What are the key properties of ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate?
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate has a molecular weight of 278.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate is sourced from PubChem (CID 120873605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).