[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate

C13H14FN5O3 — CID 8890213

IUPAC[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2cnnn2)cc1F
InChIInChI=1S/C13H14FN5O3/c1-8-3-4-10(5-11(8)14)16-13(21)9(2)22-12(20)6-19-7-15-17-18-19/h3-5,7,9H,6H2,1-2H3,(H,16,21)/t9-/m1/s1
InChIKeyOJFOKBURPYJXEQ-SECBINFHSA-N
MW307.29 g/mol
LogP0.69
Rot. Bonds5

About [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate

[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate (PubChem CID 8890213) has the molecular formula C13H14FN5O3 and a molecular weight of 307.29 g/mol. Its IUPAC name is [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
PubChem CID8890213
Molecular FormulaC13H14FN5O3
Molecular Weight307.29 g/mol
Exact Mass307.11
IUPAC Name[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2cnnn2)cc1F
InChIInChI=1S/C13H14FN5O3/c1-8-3-4-10(5-11(8)14)16-13(21)9(2)22-12(20)6-19-7-15-17-18-19/h3-5,7,9H,6H2,1-2H3,(H,16,21)/t9-/m1/s1
InChIKeyOJFOKBURPYJXEQ-SECBINFHSA-N
XLogP0.69
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890200
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9064137
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8881187
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 55497949
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8571849
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 46659098
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
CID 55459669
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 8733614
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate
CID 8576420
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8625467
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 8575093

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The IUPAC name of [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate (CID 8890213) is [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The canonical SMILES for [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate is Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2cnnn2)cc1F.
What is the InChIKey of [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The InChIKey is OJFOKBURPYJXEQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H14FN5O3/c1-8-3-4-10(5-11(8)14)16-13(21)9(2)22-12(20)6-19-7-15-17-18-19/h3-5,7,9H,6H2,1-2H3,(H,16,21)/t9-/m1/s1.
What are the key properties of [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate has a molecular weight of 307.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 8890213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).