tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate

C17H25FN2O2 — CID 70159519

IUPACtert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
SMILESCc1cc2c(cc1F)CCN2C[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25FN2O2/c1-11-8-15-13(9-14(11)18)6-7-20(15)10-12(2)19-16(21)22-17(3,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,21)/t12-/m0/s1
InChIKeyUYAMLOUHFWMCLM-LBPRGKRZSA-N
MW308.40 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate (PubChem CID 70159519) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
PubChem CID70159519
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
SMILESCc1cc2c(cc1F)CCN2C[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H25FN2O2/c1-11-8-15-13(9-14(11)18)6-7-20(15)10-12(2)19-16(21)22-17(3,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,21)/t12-/m0/s1
InChIKeyUYAMLOUHFWMCLM-LBPRGKRZSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
CID 22612719
tert-butyl N-[(2S)-1-[6-(4-hydroxythian-4-yl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
CID 70159317
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
5-fluoro-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylic acid
CID 175390386
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
tert-butyl N-[(2S)-1-fluoro-3-(6-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)propan-2-yl]carbamate
CID 170603919
[(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-yl] N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
CID 11640110
tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
CID 175178834
methyl 5-fluoro-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6-oxopyridine-3-carboxylate
CID 167472218
methyl 5-fluoro-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylate
CID 167442348
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[(2S)-1-(5-fluoro-6-iodoindol-1-yl)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate (CID 70159519) is tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate is Cc1cc2c(cc1F)CCN2C[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
The InChIKey is UYAMLOUHFWMCLM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-11-8-15-13(9-14(11)18)6-7-20(15)10-12(2)19-16(21)22-17(3,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,21)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 70159519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).