methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate

C15H22N2O3 — CID 107272868

IUPACmethyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O3/c1-3-10-17(11-15(19)20-2)14(18)9-8-12-6-4-5-7-13(12)16/h4-7H,3,8-11,16H2,1-2H3
InChIKeyCSANDAJHTYMLHK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.61
Rot. Bonds7

About methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate

methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate (PubChem CID 107272868) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
PubChem CID107272868
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O3/c1-3-10-17(11-15(19)20-2)14(18)9-8-12-6-4-5-7-13(12)16/h4-7H,3,8-11,16H2,1-2H3
InChIKeyCSANDAJHTYMLHK-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]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

3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride
CID 120610634
methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
CID 54979232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate?
The IUPAC name of methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate (CID 107272868) is methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate?
The canonical SMILES for methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate is CCCN(CC(=O)OC)C(=O)CCc1ccccc1N.
What is the InChIKey of methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate?
The InChIKey is CSANDAJHTYMLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-10-17(11-15(19)20-2)14(18)9-8-12-6-4-5-7-13(12)16/h4-7H,3,8-11,16H2,1-2H3.
What are the key properties of methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate?
methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate has a molecular weight of 278.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate is sourced from PubChem (CID 107272868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).