ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate

C24H26FN5O5 — CID 139351646

IUPACethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(C[C@@H](O)COc2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)n1
InChIInChI=1S/C24H26FN5O5/c1-2-34-24(33)22-26-28-30(27-22)14-20(31)15-35-21-9-5-17(6-10-21)23(32)29-12-11-18(13-29)16-3-7-19(25)8-4-16/h3-10,18,20,31H,2,11-15H2,1H3/t18-,20+/m0/s1
InChIKeyLHDUEGUCJKWSEC-AZUAARDMSA-N
MW483.50 g/mol
LogP2.06
Rot. Bonds9

About ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate

ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate (PubChem CID 139351646) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate
PubChem CID139351646
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Nameethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(C[C@@H](O)COc2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)n1
InChIInChI=1S/C24H26FN5O5/c1-2-34-24(33)22-26-28-30(27-22)14-20(31)15-35-21-9-5-17(6-10-21)23(32)29-12-11-18(13-29)16-3-7-19(25)8-4-16/h3-10,18,20,31H,2,11-15H2,1H3/t18-,20+/m0/s1
InChIKeyLHDUEGUCJKWSEC-AZUAARDMSA-N
XLogP2.06
TPSA119.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate with MolForge

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Related Compounds

[3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone
CID 139347568
[4-[(2R)-2-azido-3-(tetrazol-2-yl)propoxy]phenyl]-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 139347653
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid
CID 156622018
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
(4-ethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069342
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
(6-ethoxy-3-pyridinyl)-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99876631
N-ethyl-N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111993110
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate (CID 139351646) is ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate is CCOC(=O)c1nnn(C[C@@H](O)COc2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)n1.
What is the InChIKey of ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate?
The InChIKey is LHDUEGUCJKWSEC-AZUAARDMSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-2-34-24(33)22-26-28-30(27-22)14-20(31)15-35-21-9-5-17(6-10-21)23(32)29-12-11-18(13-29)16-3-7-19(25)8-4-16/h3-10,18,20,31H,2,11-15H2,1H3/t18-,20+/m0/s1.
What are the key properties of ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate?
ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate has a molecular weight of 483.50 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate is sourced from PubChem (CID 139351646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).