methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate

C11H10FN5O3 — CID 29140117

IUPACmethyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C11H10FN5O3/c1-20-10(18)5-13-11(19)8-4-7(12)2-3-9(8)17-6-14-15-16-17/h2-4,6H,5H2,1H3,(H,13,19)
InChIKeyGNEVXMKYOXMMMS-UHFFFAOYSA-N
MW279.23 g/mol
LogP-0.30
Rot. Bonds4

About methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate

methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate (PubChem CID 29140117) has the molecular formula C11H10FN5O3 and a molecular weight of 279.23 g/mol. Its IUPAC name is methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
PubChem CID29140117
Molecular FormulaC11H10FN5O3
Molecular Weight279.23 g/mol
Exact Mass279.08
IUPAC Namemethyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C11H10FN5O3/c1-20-10(18)5-13-11(19)8-4-7(12)2-3-9(8)17-6-14-15-16-17/h2-4,6H,5H2,1H3,(H,13,19)
InChIKeyGNEVXMKYOXMMMS-UHFFFAOYSA-N
XLogP-0.30
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate (CID 29140117) is methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate is COC(=O)CNC(=O)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
The InChIKey is GNEVXMKYOXMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O3/c1-20-10(18)5-13-11(19)8-4-7(12)2-3-9(8)17-6-14-15-16-17/h2-4,6H,5H2,1H3,(H,13,19).
What are the key properties of methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate has a molecular weight of 279.23 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate is sourced from PubChem (CID 29140117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).