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

C10H13ClFNO2 — CID 69489037

IUPACmethyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccccc1F.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
InChIKeyQTBXLWIDAKRUBJ-SBSPUUFOSA-N
MW233.67 g/mol
LogP1.29
Rot. Bonds3

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

methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride (PubChem CID 69489037) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
PubChem CID69489037
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Namemethyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccccc1F.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
InChIKeyQTBXLWIDAKRUBJ-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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Related Compounds

methyl 2-amino-3-(3-fluoro-2-methoxyphenyl)propanoate
CID 167713395
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-[(2S)-2-amino-3-methoxy-3-oxopropyl]-6-fluorobenzoic acid
CID 171238482
2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
methyl (2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoate;hydrochloride
CID 146160453
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
methyl (2S)-2-amino-3-[2-(difluoromethyl)phenyl]propanoate
CID 171238597
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 57302866
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
2-amino-1-(2-fluorophenyl)pentan-3-one
CID 77428239

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride (CID 69489037) is methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride is COC(=O)[C@H](N)Cc1ccccc1F.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride?
The InChIKey is QTBXLWIDAKRUBJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(2-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-(2-fluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 69489037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).