tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate

C17H24N2O3 — CID 139446493

IUPACtert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
SMILESCOc1ccc2[nH]cc(C[C@H](C)NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C17H24N2O3/c1-11(19-16(20)22-17(2,3)4)8-12-10-18-15-7-6-13(21-5)9-14(12)15/h6-7,9-11,18H,8H2,1-5H3,(H,19,20)/t11-/m0/s1
InChIKeyKSLVLUTUNBHNEH-NSHDSACASA-N
MW304.39 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate (PubChem CID 139446493) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
PubChem CID139446493
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
SMILESCOc1ccc2[nH]cc(C[C@H](C)NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C17H24N2O3/c1-11(19-16(20)22-17(2,3)4)8-12-10-18-15-7-6-13(21-5)9-14(12)15/h6-7,9-11,18H,8H2,1-5H3,(H,19,20)/t11-/m0/s1
InChIKeyKSLVLUTUNBHNEH-NSHDSACASA-N
XLogP3.63
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(5-methoxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54263574
tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 166473311
3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
CID 174209743
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
CID 59079811
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-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate
CID 166473228
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-prop-2-enoxy-1H-indol-3-yl)propanoate
CID 138482456
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-prop-2-ynoxy-1H-indol-3-yl)propanoic acid
CID 139431983
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847
tert-butyl [3-[(2S)-4,4-diamino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-1H-indol-5-yl] carbonate
CID 88979220

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate (CID 139446493) is tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate is COc1ccc2[nH]cc(C[C@H](C)NC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate?
The InChIKey is KSLVLUTUNBHNEH-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(19-16(20)22-17(2,3)4)8-12-10-18-15-7-6-13(21-5)9-14(12)15/h6-7,9-11,18H,8H2,1-5H3,(H,19,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 139446493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).