methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate

C15H16FN3O3 — CID 99791300

IUPACmethyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate
SMILESCOC(=O)[C@H](NC(=O)Cc1ccccc1F)c1cncn1C
InChIInChI=1S/C15H16FN3O3/c1-19-9-17-8-12(19)14(15(21)22-2)18-13(20)7-10-5-3-4-6-11(10)16/h3-6,8-9,14H,7H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyFYLJWANONACDMI-CQSZACIVSA-N
MW305.31 g/mol
LogP1.13
Rot. Bonds5

About methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate

methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate (PubChem CID 99791300) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate
PubChem CID99791300
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Namemethyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate
SMILESCOC(=O)[C@H](NC(=O)Cc1ccccc1F)c1cncn1C
InChIInChI=1S/C15H16FN3O3/c1-19-9-17-8-12(19)14(15(21)22-2)18-13(20)7-10-5-3-4-6-11(10)16/h3-6,8-9,14H,7H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyFYLJWANONACDMI-CQSZACIVSA-N
XLogP1.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
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N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
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N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
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2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate?
The IUPAC name of methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate (CID 99791300) is methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate.
What is the SMILES notation for methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate?
The canonical SMILES for methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate is COC(=O)[C@H](NC(=O)Cc1ccccc1F)c1cncn1C.
What is the InChIKey of methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate?
The InChIKey is FYLJWANONACDMI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-19-9-17-8-12(19)14(15(21)22-2)18-13(20)7-10-5-3-4-6-11(10)16/h3-6,8-9,14H,7H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate?
methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate has a molecular weight of 305.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate is sourced from PubChem (CID 99791300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).