tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate

C15H20N2O2 — CID 102157867

IUPACtert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10(17-14(18)19-15(2,3)4)12-9-16-13-8-6-5-7-11(12)13/h5-10,16H,1-4H3,(H,17,18)/t10-/m0/s1
InChIKeyUFDDCYOBLUJEHF-JTQLQIEISA-N
MW260.34 g/mol
LogP3.75
Rot. Bonds2

About tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 102157867) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
PubChem CID102157867
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nametert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10(17-14(18)19-15(2,3)4)12-9-16-13-8-6-5-7-11(12)13/h5-10,16H,1-4H3,(H,17,18)/t10-/m0/s1
InChIKeyUFDDCYOBLUJEHF-JTQLQIEISA-N
XLogP3.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S)-1-[1-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67719634
tert-butyl N-[(2S)-2-[1-(1H-indol-3-yl)ethylamino]-3-methylbutanoyl]carbamate
CID 67845328
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl N-[1-(1H-indol-3-yl)-2-[[1-(1H-indol-3-yl)-2-[methoxy(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 11489009
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625
[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 142070934
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 3711766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate (CID 102157867) is tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is UFDDCYOBLUJEHF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(17-14(18)19-15(2,3)4)12-9-16-13-8-6-5-7-11(12)13/h5-10,16H,1-4H3,(H,17,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 260.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 102157867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).