ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate

C15H22N2O3 — CID 119951175

IUPACethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-20-14(19)15(2,3)17-13(18)10-12(16)11-8-6-5-7-9-11/h5-9,12H,4,10,16H2,1-3H3,(H,17,18)
InChIKeyFJSVRXBJUZDJJP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds6

About ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate

ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate (PubChem CID 119951175) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
PubChem CID119951175
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-20-14(19)15(2,3)17-13(18)10-12(16)11-8-6-5-7-9-11/h5-9,12H,4,10,16H2,1-3H3,(H,17,18)
InChIKeyFJSVRXBJUZDJJP-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate 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

methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119953989
3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952059
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate (CID 119951175) is ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate is CCOC(=O)C(C)(C)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
The InChIKey is FJSVRXBJUZDJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-14(19)15(2,3)17-13(18)10-12(16)11-8-6-5-7-9-11/h5-9,12H,4,10,16H2,1-3H3,(H,17,18).
What are the key properties of ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate has a molecular weight of 278.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 119951175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).