methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate

C11H14FNO2 — CID 171238438

IUPACmethyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1cccc(C)c1F
InChIInChI=1S/C11H14FNO2/c1-7-4-3-5-8(10(7)12)6-9(13)11(14)15-2/h3-5,9H,6,13H2,1-2H3/t9-/m0/s1
InChIKeyJGVZSUWWANGTSH-VIFPVBQESA-N
MW211.24 g/mol
LogP1.18
Rot. Bonds3

About methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate

methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate (PubChem CID 171238438) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
PubChem CID171238438
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1cccc(C)c1F
InChIInChI=1S/C11H14FNO2/c1-7-4-3-5-8(10(7)12)6-9(13)11(14)15-2/h3-5,9H,6,13H2,1-2H3/t9-/m0/s1
InChIKeyJGVZSUWWANGTSH-VIFPVBQESA-N
XLogP1.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
methyl 2-amino-3-(3-fluoro-2-methoxyphenyl)propanoate
CID 167713395
2-[(2S)-2-amino-3-methoxy-3-oxopropyl]-6-fluorobenzoic acid
CID 171238482
methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
methyl (2S)-2-amino-3-[2-(difluoromethyl)phenyl]propanoate
CID 171238597
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl 2-amino-3-(3-bromo-2-hydroxyphenyl)propanoate
CID 170883663

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate (CID 171238438) is methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate is COC(=O)[C@@H](N)Cc1cccc(C)c1F.
What is the InChIKey of methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate?
The InChIKey is JGVZSUWWANGTSH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-4-3-5-8(10(7)12)6-9(13)11(14)15-2/h3-5,9H,6,13H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate?
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate is sourced from PubChem (CID 171238438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).