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

C16H24N2O2 — CID 178195106

IUPACtert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C16H24N2O2/c1-15(2,3)20-14(19)18-11-9-7-6-8-10(11)12-13(17)16(12,4)5/h6-9,12-13H,17H2,1-5H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyQAXWROPZLWDLGL-STQMWFEESA-N
MW276.38 g/mol
LogP3.48
Rot. Bonds2

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

tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate (PubChem CID 178195106) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate
PubChem CID178195106
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C16H24N2O2/c1-15(2,3)20-14(19)18-11-9-7-6-8-10(11)12-13(17)16(12,4)5/h6-9,12-13H,17H2,1-5H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyQAXWROPZLWDLGL-STQMWFEESA-N
XLogP3.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate
CID 178197079
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060
trans-(1S,3S)-3-[5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178195115
tert-butyl N-[2-[2-[(1R,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]phenyl]carbamate
CID 98242136
tert-butyl N-[2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]phenyl]carbamate
CID 98242135
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 135026210
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate (CID 178195106) is tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1[C@H]1[C@H](N)C1(C)C.
What is the InChIKey of tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate?
The InChIKey is QAXWROPZLWDLGL-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)20-14(19)18-11-9-7-6-8-10(11)12-13(17)16(12,4)5/h6-9,12-13H,17H2,1-5H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate?
tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate is sourced from PubChem (CID 178195106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).