(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride

C18H26ClFN2O — CID 119765160

IUPAC(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CC2(CCCC2)c2c(F)cccc21.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-17(2,3)15(20)16(22)21-11-18(9-4-5-10-18)14-12(19)7-6-8-13(14)21;/h6-8,15H,4-5,9-11,20H2,1-3H3;1H/t15-;/m1./s1
InChIKeyTZSQCXUEAJPBSX-XFULWGLBSA-N
MW340.87 g/mol
LogP3.78
Rot. Bonds1

About (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride

(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride (PubChem CID 119765160) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
PubChem CID119765160
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CC2(CCCC2)c2c(F)cccc21.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-17(2,3)15(20)16(22)21-11-18(9-4-5-10-18)14-12(19)7-6-8-13(14)21;/h6-8,15H,4-5,9-11,20H2,1-3H3;1H/t15-;/m1./s1
InChIKeyTZSQCXUEAJPBSX-XFULWGLBSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride (CID 119765160) is (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride is CC(C)(C)[C@H](N)C(=O)N1CC2(CCCC2)c2c(F)cccc21.Cl.
What is the InChIKey of (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
The InChIKey is TZSQCXUEAJPBSX-XFULWGLBSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-17(2,3)15(20)16(22)21-11-18(9-4-5-10-18)14-12(19)7-6-8-13(14)21;/h6-8,15H,4-5,9-11,20H2,1-3H3;1H/t15-;/m1./s1.
What are the key properties of (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride is sourced from PubChem (CID 119765160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).