tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate

C16H22N2O3 — CID 70246888

IUPACtert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C16H22N2O3/c1-10(8-18-15(20)21-16(2,3)4)13-9-17-14-7-11(19)5-6-12(13)14/h5-7,9-10,17,19H,8H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyREWMCFOZZXLSNN-SNVBAGLBSA-N
MW290.36 g/mol
LogP3.50
Rot. Bonds3

About tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate

tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate (PubChem CID 70246888) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate
PubChem CID70246888
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C16H22N2O3/c1-10(8-18-15(20)21-16(2,3)4)13-9-17-14-7-11(19)5-6-12(13)14/h5-7,9-10,17,19H,8H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyREWMCFOZZXLSNN-SNVBAGLBSA-N
XLogP3.50
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 166473311
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
3-(1-fluoroethyl)-1H-indol-6-ol
CID 84656821
tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
CID 77221627
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107254041
N-[1-(6-iodo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylmethanimine oxide
CID 89387594
N-[1-(6-iodo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylmethanimine oxide
CID 89387597
tert-butyl N-[2,3-dihydroxy-3-(4-hydroxy-2-methylphenyl)propyl]carbamate
CID 170831737
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate
CID 97056526
3-(5-hydroxy-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118276889

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate (CID 70246888) is tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)c1c[nH]c2cc(O)ccc12.
What is the InChIKey of tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate?
The InChIKey is REWMCFOZZXLSNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(8-18-15(20)21-16(2,3)4)13-9-17-14-7-11(19)5-6-12(13)14/h5-7,9-10,17,19H,8H2,1-4H3,(H,18,20)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate?
tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate is sourced from PubChem (CID 70246888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).