methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate

C13H14FN5O3 — CID 71685310

IUPACmethyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)Cn1cnnn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN5O3/c1-22-13(21)6-11(9-2-4-10(14)5-3-9)16-12(20)7-19-8-15-17-18-19/h2-5,8,11H,6-7H2,1H3,(H,16,20)
InChIKeyGIAHVLAVOGGDQV-UHFFFAOYSA-N
MW307.29 g/mol
LogP0.23
Rot. Bonds6

About methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate

methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate (PubChem CID 71685310) has the molecular formula C13H14FN5O3 and a molecular weight of 307.29 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
PubChem CID71685310
Molecular FormulaC13H14FN5O3
Molecular Weight307.29 g/mol
Exact Mass307.11
IUPAC Namemethyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)Cn1cnnn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN5O3/c1-22-13(21)6-11(9-2-4-10(14)5-3-9)16-12(20)7-19-8-15-17-18-19/h2-5,8,11H,6-7H2,1H3,(H,16,20)
InChIKeyGIAHVLAVOGGDQV-UHFFFAOYSA-N
XLogP0.23
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
methyl (3S)-3-(2-chlorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94016801
3-(3,4-dimethoxyphenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119164516
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 60537913
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
methyl 3-(4-fluorophenyl)-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoate
CID 55995564
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
methyl (3R)-3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118046253
methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55998018
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
methyl (3S)-3-(4-fluorophenyl)-3-[[2-[methyl(prop-2-ynyl)amino]acetyl]amino]propanoate
CID 87373663

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate (CID 71685310) is methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate is COC(=O)CC(NC(=O)Cn1cnnn1)c1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The InChIKey is GIAHVLAVOGGDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O3/c1-22-13(21)6-11(9-2-4-10(14)5-3-9)16-12(20)7-19-8-15-17-18-19/h2-5,8,11H,6-7H2,1H3,(H,16,20).
What are the key properties of methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate has a molecular weight of 307.29 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 71685310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).