methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate

C10H10F3NO2 — CID 70821284

IUPACmethyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3NO2/c1-16-10(15)9(14)3-5-2-7(12)8(13)4-6(5)11/h2,4,9H,3,14H2,1H3/t9-/m1/s1
InChIKeyGXZNDTIDZSRMNE-SECBINFHSA-N
MW233.19 g/mol
LogP1.15
Rot. Bonds3

About methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate

methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate (PubChem CID 70821284) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate
PubChem CID70821284
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3NO2/c1-16-10(15)9(14)3-5-2-7(12)8(13)4-6(5)11/h2,4,9H,3,14H2,1H3/t9-/m1/s1
InChIKeyGXZNDTIDZSRMNE-SECBINFHSA-N
XLogP1.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate (CID 70821284) is methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate is COC(=O)[C@H](N)Cc1cc(F)c(F)cc1F.
What is the InChIKey of methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate?
The InChIKey is GXZNDTIDZSRMNE-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-10(15)9(14)3-5-2-7(12)8(13)4-6(5)11/h2,4,9H,3,14H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate?
methyl (2R)-2-amino-3-(2,4,5-trifluorophenyl)propanoate has a molecular weight of 233.19 g/mol, XLogP of 1.15, 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-(2,4,5-trifluorophenyl)propanoate is sourced from PubChem (CID 70821284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).