tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate

C17H26N2O3 — CID 107862559

IUPACtert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(N[C@@H](CO)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-14-9-13(10-14)18-15(11-20)12-7-5-4-6-8-12/h4-8,13-15,18,20H,9-11H2,1-3H3,(H,19,21)/t13?,14?,15-/m0/s1
InChIKeyCULIVYNJGOAOND-NRXISQOPSA-N
MW306.41 g/mol
LogP2.37
Rot. Bonds5

About tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate

tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate (PubChem CID 107862559) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
PubChem CID107862559
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(N[C@@H](CO)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-14-9-13(10-14)18-15(11-20)12-7-5-4-6-8-12/h4-8,13-15,18,20H,9-11H2,1-3H3,(H,19,21)/t13?,14?,15-/m0/s1
InChIKeyCULIVYNJGOAOND-NRXISQOPSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
tert-butyl N-[(2S)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101201490
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate (CID 107862559) is tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(N[C@@H](CO)c2ccccc2)C1.
What is the InChIKey of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate?
The InChIKey is CULIVYNJGOAOND-NRXISQOPSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-14-9-13(10-14)18-15(11-20)12-7-5-4-6-8-12/h4-8,13-15,18,20H,9-11H2,1-3H3,(H,19,21)/t13?,14?,15-/m0/s1.
What are the key properties of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 107862559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).