methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate

C17H18FNO3 — CID 134957328

IUPACmethyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate
SMILESCOC(=O)[C@H](NCc1ccccc1OC)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-21-15-10-6-3-7-12(15)11-19-16(17(20)22-2)13-8-4-5-9-14(13)18/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1
InChIKeyMBUOUBMQTCGOSV-MRXNPFEDSA-N
MW303.33 g/mol
LogP2.84
Rot. Bonds6

About methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate

methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate (PubChem CID 134957328) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate
PubChem CID134957328
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Namemethyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate
SMILESCOC(=O)[C@H](NCc1ccccc1OC)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-21-15-10-6-3-7-12(15)11-19-16(17(20)22-2)13-8-4-5-9-14(13)18/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1
InChIKeyMBUOUBMQTCGOSV-MRXNPFEDSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate?
The IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate (CID 134957328) is methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate.
What is the SMILES notation for methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate?
The canonical SMILES for methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate is COC(=O)[C@H](NCc1ccccc1OC)c1ccccc1F.
What is the InChIKey of methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate?
The InChIKey is MBUOUBMQTCGOSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-21-15-10-6-3-7-12(15)11-19-16(17(20)22-2)13-8-4-5-9-14(13)18/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate?
methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate has a molecular weight of 303.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]acetate is sourced from PubChem (CID 134957328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).