tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate

C17H23NO2 — CID 134861468

IUPACtert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/N(C(=O)OC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-5-11-18(16(19)20-17(2,3)4)15-12-14(15)13-9-7-6-8-10-13/h5-11,14-15H,12H2,1-4H3/b11-5+/t14-,15+/m1/s1
InChIKeyXBTNUMKMZZZCDF-BKTZVYDRSA-N
MW273.38 g/mol
LogP4.31
Rot. Bonds3

About tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate

tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate (PubChem CID 134861468) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
PubChem CID134861468
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nametert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/N(C(=O)OC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-5-11-18(16(19)20-17(2,3)4)15-12-14(15)13-9-7-6-8-10-13/h5-11,14-15H,12H2,1-4H3/b11-5+/t14-,15+/m1/s1
InChIKeyXBTNUMKMZZZCDF-BKTZVYDRSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 155265703
tert-butyl N-(azetidin-3-ylmethyl)-N-[(2S)-2-phenylcyclopropyl]carbamate
CID 130199105
tert-butyl N-(1-aminopentan-3-yl)-N-[(1R)-2-phenylcyclopropyl]carbamate
CID 145307586
tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129279853
tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
CID 18345112
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
(2S)-2-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]-3-phenylpropanoic acid
CID 155633155
3-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoic acid
CID 118304869
tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129290819
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate (CID 134861468) is tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate is C/C=C/N(C(=O)OC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate?
The InChIKey is XBTNUMKMZZZCDF-BKTZVYDRSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-11-18(16(19)20-17(2,3)4)15-12-14(15)13-9-7-6-8-10-13/h5-11,14-15H,12H2,1-4H3/b11-5+/t14-,15+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate?
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate has a molecular weight of 273.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate is sourced from PubChem (CID 134861468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).