[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate

C10H11FN2O3 — CID 60729893

IUPAC[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
SMILESCNC(=O)COC(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H11FN2O3/c1-13-9(14)5-16-10(15)7-4-6(12)2-3-8(7)11/h2-4H,5,12H2,1H3,(H,13,14)
InChIKeyHJQPBNPDDAOGLC-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.31
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate

[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate (PubChem CID 60729893) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
PubChem CID60729893
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
SMILESCNC(=O)COC(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H11FN2O3/c1-13-9(14)5-16-10(15)7-4-6(12)2-3-8(7)11/h2-4H,5,12H2,1H3,(H,13,14)
InChIKeyHJQPBNPDDAOGLC-UHFFFAOYSA-N
XLogP0.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
CID 61317152
2-(5-amino-2-fluorobenzoyl)oxyacetic acid
CID 61314863
[2-(diethylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 61317153
[2-(oxan-4-ylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 63099389
2-fluoroethyl 5-amino-2-fluorobenzoate
CID 80694649
2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
CID 61314304
5-hydroxypentyl 5-amino-2-fluorobenzoate
CID 62227358
2,3-dihydroxypropyl 5-amino-2-fluorobenzoate
CID 82850980
[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2416966
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8624976
3-(dimethylamino)propyl 5-amino-2-fluorobenzoate
CID 114526431
[2-(tert-butylamino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085308

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate (CID 60729893) is [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate is CNC(=O)COC(=O)c1cc(N)ccc1F.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate?
The InChIKey is HJQPBNPDDAOGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-13-9(14)5-16-10(15)7-4-6(12)2-3-8(7)11/h2-4H,5,12H2,1H3,(H,13,14).
What are the key properties of [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate?
[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate has a molecular weight of 226.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate is sourced from PubChem (CID 60729893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).