methyl (2R)-2-amino-2-(4-fluorophenyl)acetate

C9H10FNO2 — CID 11049834

IUPACmethyl (2R)-2-amino-2-(4-fluorophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3/t8-/m1/s1
InChIKeyMWURXQVPORPSQD-MRVPVSSYSA-N
MW183.18 g/mol
LogP1.00
Rot. Bonds2

About methyl (2R)-2-amino-2-(4-fluorophenyl)acetate

methyl (2R)-2-amino-2-(4-fluorophenyl)acetate (PubChem CID 11049834) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(4-fluorophenyl)acetate
PubChem CID11049834
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl (2R)-2-amino-2-(4-fluorophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3/t8-/m1/s1
InChIKeyMWURXQVPORPSQD-MRVPVSSYSA-N
XLogP1.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.00
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-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(4-fluorophenyl)acetate (CID 11049834) is methyl (2R)-2-amino-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(4-fluorophenyl)acetate is COC(=O)[C@H](N)c1ccc(F)cc1.
What is the InChIKey of methyl (2R)-2-amino-2-(4-fluorophenyl)acetate?
The InChIKey is MWURXQVPORPSQD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(4-fluorophenyl)acetate?
methyl (2R)-2-amino-2-(4-fluorophenyl)acetate has a molecular weight of 183.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 11049834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).