benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride

C17H20ClNO3 — CID 14104115

IUPACbenzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride
SMILESCl.NC(COCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3.ClH/c18-16(13-20-11-14-7-3-1-4-8-14)17(19)21-12-15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H
InChIKeyBGAVLJMLSSCOSD-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.70
Rot. Bonds7

About benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride

benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride (PubChem CID 14104115) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride
PubChem CID14104115
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Namebenzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride
SMILESCl.NC(COCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3.ClH/c18-16(13-20-11-14-7-3-1-4-8-14)17(19)21-12-15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H
InChIKeyBGAVLJMLSSCOSD-UHFFFAOYSA-N
XLogP2.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride?
The IUPAC name of benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride (CID 14104115) is benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride.
What is the SMILES notation for benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride?
The canonical SMILES for benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride is Cl.NC(COCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride?
The InChIKey is BGAVLJMLSSCOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3.ClH/c18-16(13-20-11-14-7-3-1-4-8-14)17(19)21-12-15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H.
What are the key properties of benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride?
benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride has a molecular weight of 321.80 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-phenylmethoxypropanoate;hydrochloride is sourced from PubChem (CID 14104115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).