(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one

C14H17FN2O — CID 119314082

IUPAC(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C14H17FN2O/c1-9(16)13(18)17-8-14(6-3-7-14)12-10(15)4-2-5-11(12)17/h2,4-5,9H,3,6-8,16H2,1H3/t9-/m1/s1
InChIKeyNVKDOIJDNVEJOY-SECBINFHSA-N
MW248.30 g/mol
LogP1.94
Rot. Bonds1

About (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one

(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one (PubChem CID 119314082) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
PubChem CID119314082
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C14H17FN2O/c1-9(16)13(18)17-8-14(6-3-7-14)12-10(15)4-2-5-11(12)17/h2,4-5,9H,3,6-8,16H2,1H3/t9-/m1/s1
InChIKeyNVKDOIJDNVEJOY-SECBINFHSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119765160
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone
CID 120791268
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
CID 99842887
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 100907616
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 100904348
(2R)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)propan-2-amine
CID 166397619
(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119765168
trans-(1R,2R)-2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 97079075
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 120791486
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
CID 119312884

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one (CID 119314082) is (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one is C[C@@H](N)C(=O)N1CC2(CCC2)c2c(F)cccc21.
What is the InChIKey of (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one?
The InChIKey is NVKDOIJDNVEJOY-SECBINFHSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9(16)13(18)17-8-14(6-3-7-14)12-10(15)4-2-5-11(12)17/h2,4-5,9H,3,6-8,16H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one?
(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one has a molecular weight of 248.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one is sourced from PubChem (CID 119314082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).