2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid

C12H14FNO5 — CID 119346216

IUPAC2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cc(F)c(C(=O)N(C)CC(=O)O)cc1OC
InChIInChI=1S/C12H14FNO5/c1-14(6-11(15)16)12(17)7-4-9(18-2)10(19-3)5-8(7)13/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyQYBYYODCACDODF-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.00
Rot. Bonds5

About 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid

2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid (PubChem CID 119346216) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid
PubChem CID119346216
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cc(F)c(C(=O)N(C)CC(=O)O)cc1OC
InChIInChI=1S/C12H14FNO5/c1-14(6-11(15)16)12(17)7-4-9(18-2)10(19-3)5-8(7)13/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyQYBYYODCACDODF-UHFFFAOYSA-N
XLogP1.00
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 43234989
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 31369496
5-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 62935002
2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid (CID 119346216) is 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid is COc1cc(F)c(C(=O)N(C)CC(=O)O)cc1OC.
What is the InChIKey of 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid?
The InChIKey is QYBYYODCACDODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-14(6-11(15)16)12(17)7-4-9(18-2)10(19-3)5-8(7)13/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid?
2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid has a molecular weight of 271.24 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 119346216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).