2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid

C10H11FN2O4 — CID 63180485

IUPAC2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid
SMILESCNC(=O)COc1cc(F)c(N)c(C(=O)O)c1
InChIInChI=1S/C10H11FN2O4/c1-13-8(14)4-17-5-2-6(10(15)16)9(12)7(11)3-5/h2-3H,4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyWDOJGRABILEFIT-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.23
Rot. Bonds4

About 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid

2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid (PubChem CID 63180485) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid
PubChem CID63180485
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid
SMILESCNC(=O)COc1cc(F)c(N)c(C(=O)O)c1
InChIInChI=1S/C10H11FN2O4/c1-13-8(14)4-17-5-2-6(10(15)16)9(12)7(11)3-5/h2-3H,4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyWDOJGRABILEFIT-UHFFFAOYSA-N
XLogP0.23
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675462
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619
propan-2-yl 2-amino-5-[2-(dimethylamino)-2-oxoethoxy]-3-fluorobenzoate
CID 63180484
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
4-[2-(cyanomethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675288
6-[2-(methylamino)-2-oxoethoxy]-1,3-benzodioxole-5-carboxylic acid
CID 54980156
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
CID 72885050
[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 60729893
N-[2-(methylamino)-2-oxoethoxy]-2-phenoxyacetamide
CID 110495620
2-[(6-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid (CID 63180485) is 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid is CNC(=O)COc1cc(F)c(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is WDOJGRABILEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-13-8(14)4-17-5-2-6(10(15)16)9(12)7(11)3-5/h2-3H,4,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid?
2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 242.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-5-[2-(methylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 63180485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).