benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate

C19H22N2O3 — CID 19926320

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

About benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate

benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate (PubChem CID 19926320) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate.

Molecular Properties

Compound Namebenzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate
PubChem CID19926320
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate
SMILESNCCC(=O)NCC(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c20-12-11-18(22)21-13-17(16-9-5-2-6-10-16)19(23)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,22)
InChIKeyPZIQCDIFSGYWHL-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-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate
CID 150423836
3-(6-aminohexanoylamino)-2-phenylpropanoic acid
CID 62883152
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
CID 54506547
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl 2-phenylheptanoate
CID 175026183
benzyl 2-(methoxyamino)-2-phenylacetate
CID 139697903

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate?
The IUPAC name of benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate (CID 19926320) is benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate.
What is the SMILES notation for benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate?
The canonical SMILES for benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate is NCCC(=O)NCC(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate?
The InChIKey is PZIQCDIFSGYWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c20-12-11-18(22)21-13-17(16-9-5-2-6-10-16)19(23)24-14-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,22).
What are the key properties of benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate?
benzyl 3-(3-aminopropanoylamino)-2-phenylpropanoate 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-aminopropanoylamino)-2-phenylpropanoate is sourced from PubChem (CID 19926320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).