tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate

C22H27NO3 — CID 11725628

IUPACtert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1C[C@]1(c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-21(2,3)26-20(25)23-15-18-14-22(18,17-12-8-5-9-13-17)19(24)16-10-6-4-7-11-16/h4-13,18-19,24H,14-15H2,1-3H3,(H,23,25)/t18?,19-,22+/m0/s1
InChIKeyGNPGZPQCHOKLIK-FGTDEGFTSA-N
MW353.46 g/mol
LogP4.20
Rot. Bonds5

About tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate

tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate (PubChem CID 11725628) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate
PubChem CID11725628
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Nametert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1C[C@]1(c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-21(2,3)26-20(25)23-15-18-14-22(18,17-12-8-5-9-13-17)19(24)16-10-6-4-7-11-16/h4-13,18-19,24H,14-15H2,1-3H3,(H,23,25)/t18?,19-,22+/m0/s1
InChIKeyGNPGZPQCHOKLIK-FGTDEGFTSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
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tert-butyl N-[[1-(1-benzhydrylazetidin-3-yl)piperidin-4-yl]methyl]carbamate
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CID 59571671
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
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tert-butyl N-[(3S)-3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamate
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tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate (CID 11725628) is tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1C[C@]1(c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate?
The InChIKey is GNPGZPQCHOKLIK-FGTDEGFTSA-N. The full InChI is InChI=1S/C22H27NO3/c1-21(2,3)26-20(25)23-15-18-14-22(18,17-12-8-5-9-13-17)19(24)16-10-6-4-7-11-16/h4-13,18-19,24H,14-15H2,1-3H3,(H,23,25)/t18?,19-,22+/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate?
tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate has a molecular weight of 353.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-2-[(S)-hydroxy(phenyl)methyl]-2-phenylcyclopropyl]methyl]carbamate is sourced from PubChem (CID 11725628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).