[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate

C15H17N5O3 — CID 7500751

IUPAC[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESC[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C15H17N5O3/c1-11(14(21)19-8-2-3-9-19)23-15(22)12-4-6-13(7-5-12)20-10-16-17-18-20/h4-7,10-11H,2-3,8-9H2,1H3/t11-/m0/s1
InChIKeyRGTJWMDZRMNLLM-NSHDSACASA-N
MW315.33 g/mol
LogP0.83
Rot. Bonds4

About [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate

[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate (PubChem CID 7500751) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate
PubChem CID7500751
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESC[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C15H17N5O3/c1-11(14(21)19-8-2-3-9-19)23-15(22)12-4-6-13(7-5-12)20-10-16-17-18-20/h4-7,10-11H,2-3,8-9H2,1H3/t11-/m0/s1
InChIKeyRGTJWMDZRMNLLM-NSHDSACASA-N
XLogP0.83
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-pyrazol-1-ylbenzoate
CID 18192323
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
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[1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 46795458
(2R)-1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
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1-(4-methylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 45148172
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(1,3,4-oxadiazol-2-yl)benzoate
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[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
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[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-(tetrazol-1-yl)benzoate
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[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 8705295
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500770
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate (CID 7500751) is [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate is C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCC1.
What is the InChIKey of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is RGTJWMDZRMNLLM-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5O3/c1-11(14(21)19-8-2-3-9-19)23-15(22)12-4-6-13(7-5-12)20-10-16-17-18-20/h4-7,10-11H,2-3,8-9H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate?
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 315.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7500751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).