(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate

C10H10FNO4 — CID 61317152

IUPAC(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
SMILESCOC(=O)COC(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H10FNO4/c1-15-9(13)5-16-10(14)7-4-6(12)2-3-8(7)11/h2-4H,5,12H2,1H3
InChIKeySYUIBYVLWMNUOF-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.74
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate

(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate (PubChem CID 61317152) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
PubChem CID61317152
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
SMILESCOC(=O)COC(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H10FNO4/c1-15-9(13)5-16-10(14)7-4-6(12)2-3-8(7)11/h2-4H,5,12H2,1H3
InChIKeySYUIBYVLWMNUOF-UHFFFAOYSA-N
XLogP0.74
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 60729893
2-(5-amino-2-fluorobenzoyl)oxyacetic acid
CID 61314863
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
[2-(diethylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 61317153
2-fluoroethyl 5-amino-2-fluorobenzoate
CID 80694649
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
CID 61314304
3-(dimethylamino)propyl 5-amino-2-fluorobenzoate
CID 114526431
[2-(oxan-4-ylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 63099389
5-hydroxypentyl 5-amino-2-fluorobenzoate
CID 62227358
2,3-dihydroxypropyl 5-amino-2-fluorobenzoate
CID 82850980
(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate
CID 61323433

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate (CID 61317152) is (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate is COC(=O)COC(=O)c1cc(N)ccc1F.
What is the InChIKey of (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate?
The InChIKey is SYUIBYVLWMNUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-15-9(13)5-16-10(14)7-4-6(12)2-3-8(7)11/h2-4H,5,12H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate?
(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate has a molecular weight of 227.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate is sourced from PubChem (CID 61317152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).