benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate

C19H22N2O3 — CID 54506547

IUPACbenzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
SMILESNCC(C(=O)NCCC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c20-13-17(16-9-5-2-6-10-16)19(23)21-12-11-18(22)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,23)
InChIKeyYGCLKGWDLLZLIL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.98
Rot. Bonds8

About benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate

benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate (PubChem CID 54506547) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
PubChem CID54506547
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
SMILESNCC(C(=O)NCCC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c20-13-17(16-9-5-2-6-10-16)19(23)21-12-11-18(22)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,23)
InChIKeyYGCLKGWDLLZLIL-UHFFFAOYSA-N
XLogP1.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
CID 62878003
benzyl 3-[[2-phenyl-3-[[4-(N'-phenylmethoxycarbonylcarbamimidoyl)benzoyl]amino]propanoyl]amino]propanoate
CID 54392113
benzyl 3-[(4-amino-3-hydroxybutanoyl)amino]propanoate
CID 19883631
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
CID 119737692
benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate
CID 19926320
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
CID 15692489

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate?
The IUPAC name of benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate (CID 54506547) is benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate.
What is the SMILES notation for benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate?
The canonical SMILES for benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate is NCC(C(=O)NCCC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate?
The InChIKey is YGCLKGWDLLZLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c20-13-17(16-9-5-2-6-10-16)19(23)21-12-11-18(22)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,23).
What are the key properties of benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate?
benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate has a molecular weight of 326.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate is sourced from PubChem (CID 54506547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).