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

C14H19NO2 — CID 15381986

IUPACtert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyMBZAGPLGLMIZOL-NWDGAFQWSA-N
MW233.31 g/mol
LogP3.07
Rot. Bonds2

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

tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate (PubChem CID 15381986) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate
PubChem CID15381986
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyMBZAGPLGLMIZOL-NWDGAFQWSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate (CID 15381986) is tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The InChIKey is MBZAGPLGLMIZOL-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 15381986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).