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

C16H22N2O3 — CID 166473311

IUPACtert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1c[nH]c2cc(O)ccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O3/c1-10(18-15(20)21-16(2,3)4)7-11-9-17-14-8-12(19)5-6-13(11)14/h5-6,8-10,17,19H,7H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyYIUMXPSPYJLUEI-SNVBAGLBSA-N
MW290.36 g/mol
LogP3.33
Rot. Bonds3

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

tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate (PubChem CID 166473311) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
PubChem CID166473311
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1c[nH]c2cc(O)ccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O3/c1-10(18-15(20)21-16(2,3)4)7-11-9-17-14-8-12(19)5-6-13(11)14/h5-6,8-10,17,19H,7H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyYIUMXPSPYJLUEI-SNVBAGLBSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
CID 174209743
tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate
CID 166473228
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate
CID 83984638
tert-butyl N-[1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-yl]carbamate
CID 83984526
tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate
CID 70246888
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
CID 145005816
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
(3S)-4-(6-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 176706878
4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate (CID 166473311) is tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate is C[C@H](Cc1c[nH]c2cc(O)ccc12)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate?
The InChIKey is YIUMXPSPYJLUEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(18-15(20)21-16(2,3)4)7-11-9-17-14-8-12(19)5-6-13(11)14/h5-6,8-10,17,19H,7H2,1-4H3,(H,18,20)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 166473311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).