methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate

C18H16FN5O3 — CID 42580732

IUPACmethyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C18H16FN5O3/c1-27-18(26)15(9-12-5-3-2-4-6-12)21-17(25)14-10-13(19)7-8-16(14)24-11-20-22-23-24/h2-8,10-11,15H,9H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyIOVPMJIJEPVPLD-HNNXBMFYSA-N
MW369.36 g/mol
LogP1.32
Rot. Bonds6

About methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate (PubChem CID 42580732) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
PubChem CID42580732
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Namemethyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C18H16FN5O3/c1-27-18(26)15(9-12-5-3-2-4-6-12)21-17(25)14-10-13(19)7-8-16(14)24-11-20-22-23-24/h2-8,10-11,15H,9H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyIOVPMJIJEPVPLD-HNNXBMFYSA-N
XLogP1.32
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 45370251
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
methyl (2R,3S)-2-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-methylpentanoate
CID 96565035
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 91821012
5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide
CID 91640650
N-[(2S)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 59402204

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate (CID 42580732) is methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is IOVPMJIJEPVPLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-27-18(26)15(9-12-5-3-2-4-6-12)21-17(25)14-10-13(19)7-8-16(14)24-11-20-22-23-24/h2-8,10-11,15H,9H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 369.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 42580732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).