tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate

C16H23FN2O2 — CID 178197079

IUPACtert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C16H23FN2O2/c1-15(2,3)21-14(20)19-9-6-7-11(17)10(8-9)12-13(18)16(12,4)5/h6-8,12-13H,18H2,1-5H3,(H,19,20)/t12-,13-/m0/s1
InChIKeyQEJYVCHLJVGGTA-STQMWFEESA-N
MW294.37 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate

tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate (PubChem CID 178197079) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate
PubChem CID178197079
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C16H23FN2O2/c1-15(2,3)21-14(20)19-9-6-7-11(17)10(8-9)12-13(18)16(12,4)5/h6-8,12-13H,18H2,1-5H3,(H,19,20)/t12-,13-/m0/s1
InChIKeyQEJYVCHLJVGGTA-STQMWFEESA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
CID 130848962
tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate
CID 178195106
tert-butyl N-[3-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]-4-chlorophenyl]carbamate
CID 178199326
tert-butyl N-[3-(3,3-difluoro-5-methyl-6-sulfanylidenepiperidin-2-yl)-4-fluorophenyl]carbamate
CID 126591085
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
trifluoro-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
CID 86810523
tert-butyl N-[1,1,1',1'-tetramethyl-5'-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3'-spirobi[2H-indene]-5-yl]carbamate
CID 153378805
tert-butyl N-[3-[(2R,3S,5R)-3,5-difluoro-2,5-dimethyl-6-sulfanylpiperidin-2-yl]-4-fluorophenyl]carbamate
CID 141487451
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate (CID 178197079) is tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c([C@H]2[C@H](N)C2(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate?
The InChIKey is QEJYVCHLJVGGTA-STQMWFEESA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-15(2,3)21-14(20)19-9-6-7-11(17)10(8-9)12-13(18)16(12,4)5/h6-8,12-13H,18H2,1-5H3,(H,19,20)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate?
tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate is sourced from PubChem (CID 178197079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).