[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone

C18H23FN2O2 — CID 120791266

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CC3(CCCC3)c3c(F)cccc32)O1
InChIInChI=1S/C18H23FN2O2/c19-13-4-3-5-14-16(13)18(8-1-2-9-18)11-21(14)17(22)15-7-6-12(10-20)23-15/h3-5,12,15H,1-2,6-11,20H2/t12-,15+/m1/s1
InChIKeyLGVZWOAAOPHOQC-DOMZBBRYSA-N
MW318.39 g/mol
LogP2.49
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone (PubChem CID 120791266) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
PubChem CID120791266
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CC3(CCCC3)c3c(F)cccc32)O1
InChIInChI=1S/C18H23FN2O2/c19-13-4-3-5-14-16(13)18(8-1-2-9-18)11-21(14)17(22)15-7-6-12(10-20)23-15/h3-5,12,15H,1-2,6-11,20H2/t12-,15+/m1/s1
InChIKeyLGVZWOAAOPHOQC-DOMZBBRYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 120791486
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
CID 119312884
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129369998
trans-(1R,2R)-2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 97079075
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone
CID 120791268
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312873
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119765165
(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone (CID 120791266) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone is NC[C@H]1CC[C@@H](C(=O)N2CC3(CCCC3)c3c(F)cccc32)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
The InChIKey is LGVZWOAAOPHOQC-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-13-4-3-5-14-16(13)18(8-1-2-9-18)11-21(14)17(22)15-7-6-12(10-20)23-15/h3-5,12,15H,1-2,6-11,20H2/t12-,15+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone has a molecular weight of 318.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone is sourced from PubChem (CID 120791266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).