methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate

C10H11ClFNO2 — CID 171238083

IUPACmethyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFNO2/c1-15-10(14)8(13)5-6-3-2-4-7(11)9(6)12/h2-4,8H,5,13H2,1H3/t8-/m1/s1
InChIKeyRCCMNGIMIGXNLX-MRVPVSSYSA-N
MW231.65 g/mol
LogP1.52
Rot. Bonds3

About methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate

methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate (PubChem CID 171238083) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
PubChem CID171238083
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Namemethyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFNO2/c1-15-10(14)8(13)5-6-3-2-4-7(11)9(6)12/h2-4,8H,5,13H2,1H3/t8-/m1/s1
InChIKeyRCCMNGIMIGXNLX-MRVPVSSYSA-N
XLogP1.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
methyl 2-amino-4-[(3-chloro-2-fluorophenyl)methylsulfanyl]butanoate
CID 102856056
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-(4-amino-2-chlorophenyl)propanoate
CID 171238434
methyl (2S)-2-amino-3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]phenyl]propanoate
CID 157478198
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate (CID 171238083) is methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate is COC(=O)[C@H](N)Cc1cccc(Cl)c1F.
What is the InChIKey of methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate?
The InChIKey is RCCMNGIMIGXNLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-15-10(14)8(13)5-6-3-2-4-7(11)9(6)12/h2-4,8H,5,13H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate?
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate has a molecular weight of 231.65 g/mol, XLogP of 1.52, 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-chloro-2-fluorophenyl)propanoate is sourced from PubChem (CID 171238083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).