benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride

C16H17ClFNO2 — CID 90281947

IUPACbenzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
SMILESCl.N[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H16FNO2.ClH/c17-14-8-4-7-13(9-14)10-15(18)16(19)20-11-12-5-2-1-3-6-12;/h1-9,15H,10-11,18H2;1H/t15-;/m0./s1
InChIKeyQFLOAPXBEQRYKP-RSAXXLAASA-N
MW309.77 g/mol
LogP2.86
Rot. Bonds5

About benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride

benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride (PubChem CID 90281947) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
PubChem CID90281947
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Namebenzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
SMILESCl.N[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H16FNO2.ClH/c17-14-8-4-7-13(9-14)10-15(18)16(19)20-11-12-5-2-1-3-6-12;/h1-9,15H,10-11,18H2;1H/t15-;/m0./s1
InChIKeyQFLOAPXBEQRYKP-RSAXXLAASA-N
XLogP2.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride 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

(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
propan-2-yl (2S)-2-amino-3-(3-fluorophenyl)propanoate
CID 67419664
butyl (2R)-2-amino-3-(3-fluorophenyl)propanoate
CID 118369971
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
(3-aminophenyl)methyl (2S)-2-amino-3-phenylpropanoate
CID 57184101
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246
(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid
CID 158153122
2-amino-3-(3-fluorophenyl)propanoic acid;2,2,2-trifluoroacetic acid
CID 155543413
benzyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 70209453
benzyl (2S)-2-amino-3-[3,4-bis(phenylmethoxycarbonyloxy)phenyl]propanoate
CID 102062435
benzyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 139716301
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
The IUPAC name of benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride (CID 90281947) is benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
The canonical SMILES for benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride is Cl.N[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
The InChIKey is QFLOAPXBEQRYKP-RSAXXLAASA-N. The full InChI is InChI=1S/C16H16FNO2.ClH/c17-14-8-4-7-13(9-14)10-15(18)16(19)20-11-12-5-2-1-3-6-12;/h1-9,15H,10-11,18H2;1H/t15-;/m0./s1.
What are the key properties of benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride has a molecular weight of 309.77 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 90281947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).