methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate

C13H18FNO2 — CID 115043081

IUPACmethyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
SMILESCOC(=O)C(C)(N)C(C)(C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-12(2,13(3,15)11(16)17-4)9-6-5-7-10(14)8-9/h5-8H,15H2,1-4H3
InChIKeyQDHCXLUUMQFRNI-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.99
Rot. Bonds3

About methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate

methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate (PubChem CID 115043081) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
PubChem CID115043081
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
SMILESCOC(=O)C(C)(N)C(C)(C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-12(2,13(3,15)11(16)17-4)9-6-5-7-10(14)8-9/h5-8H,15H2,1-4H3
InChIKeyQDHCXLUUMQFRNI-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
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methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
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methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513
methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate
CID 171477875
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propoxybutanoate
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methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propan-2-yloxybutanoate
CID 106509496

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate?
The IUPAC name of methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate (CID 115043081) is methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate?
The canonical SMILES for methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate is COC(=O)C(C)(N)C(C)(C)c1cccc(F)c1.
What is the InChIKey of methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate?
The InChIKey is QDHCXLUUMQFRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-12(2,13(3,15)11(16)17-4)9-6-5-7-10(14)8-9/h5-8H,15H2,1-4H3.
What are the key properties of methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate?
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate has a molecular weight of 239.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate is sourced from PubChem (CID 115043081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).