methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride

C10H13ClFNO2 — CID 53487118

IUPACmethyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1cccc(F)c1.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
InChIKeyLIYCRVHARXGJKA-SBSPUUFOSA-N
MW233.67 g/mol
LogP1.29
Rot. Bonds3

About methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride

methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride (PubChem CID 53487118) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
PubChem CID53487118
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Namemethyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1cccc(F)c1.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
InChIKeyLIYCRVHARXGJKA-SBSPUUFOSA-N
XLogP1.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride (CID 53487118) is methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride is COC(=O)[C@H](N)Cc1cccc(F)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
The InChIKey is LIYCRVHARXGJKA-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride has a molecular weight of 233.67 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 53487118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).