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

C18H28N2O3 — CID 107862557

IUPACtert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N[C@@H](CO)c2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)20-15-10-9-14(11-15)19-16(12-21)13-7-5-4-6-8-13/h4-8,14-16,19,21H,9-12H2,1-3H3,(H,20,22)/t14?,15?,16-/m0/s1
InChIKeyWYQOXEWMGRZEDI-GPANFISMSA-N
MW320.43 g/mol
LogP2.76
Rot. Bonds5

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

tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate (PubChem CID 107862557) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
PubChem CID107862557
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N[C@@H](CO)c2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)20-15-10-9-14(11-15)19-16(12-21)13-7-5-4-6-8-13/h4-8,14-16,19,21H,9-12H2,1-3H3,(H,20,22)/t14?,15?,16-/m0/s1
InChIKeyWYQOXEWMGRZEDI-GPANFISMSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
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-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate (CID 107862557) is tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N[C@@H](CO)c2ccccc2)C1.
What is the InChIKey of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate?
The InChIKey is WYQOXEWMGRZEDI-GPANFISMSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)20-15-10-9-14(11-15)19-16(12-21)13-7-5-4-6-8-13/h4-8,14-16,19,21H,9-12H2,1-3H3,(H,20,22)/t14?,15?,16-/m0/s1.
What are the key properties of tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate?
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.76, 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]cyclopentyl]carbamate is sourced from PubChem (CID 107862557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).