methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate

C13H16FNO3 — CID 61052680

IUPACmethyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-9(13(17)18-3)8-15(2)12(16)10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3
InChIKeyHMDXWZZJWLECHI-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.71
Rot. Bonds4

About methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate

methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate (PubChem CID 61052680) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
PubChem CID61052680
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namemethyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-9(13(17)18-3)8-15(2)12(16)10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3
InChIKeyHMDXWZZJWLECHI-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
methyl 3-[(2,6-difluoro-3-methylbenzoyl)-methylamino]-2-methylpropanoate
CID 82815569
methyl 3-[3-(2-fluorophenyl)prop-2-enoyl-methylamino]-2-methylpropanoate
CID 76912312
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203
methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
3-[(3-fluoro-2-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122107756
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate (CID 61052680) is methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1ccccc1F.
What is the InChIKey of methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate?
The InChIKey is HMDXWZZJWLECHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(13(17)18-3)8-15(2)12(16)10-6-4-5-7-11(10)14/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate has a molecular weight of 253.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 61052680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).