tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate

C17H23N3O3 — CID 56984917

IUPACtert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O3/c1-11(19-16(22)23-17(2,3)4)9-12-10-20(15(18)21)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3,(H2,18,21)(H,19,22)/t11-/m1/s1
InChIKeyUSTNMRCUEORGQL-LLVKDONJSA-N
MW317.39 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate (PubChem CID 56984917) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate
PubChem CID56984917
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O3/c1-11(19-16(22)23-17(2,3)4)9-12-10-20(15(18)21)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3,(H2,18,21)(H,19,22)/t11-/m1/s1
InChIKeyUSTNMRCUEORGQL-LLVKDONJSA-N
XLogP3.02
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(2-formamidopropyl)indole-1-carboxylate
CID 166490368
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate
CID 88559112
tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069
methyl (2S)-3-(1-benzoylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10598315
methyl 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate
CID 10813513
tert-butyl 3-[(2R)-3-[[(2R)-1-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate
CID 11061507
tert-butyl 3-[3-(2-hydroxyethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate
CID 167524860
(2R)-3-(1-methoxycarbonylindol-3-yl)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid
CID 131719297
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
3-[(2R)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]propyl]indole-1-carboxamide
CID 123601463
tert-butyl 3-[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxopentyl]indole-1-carboxylate
CID 21032469
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate (CID 56984917) is tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate is C[C@H](Cc1cn(C(N)=O)c2ccccc12)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate?
The InChIKey is USTNMRCUEORGQL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(19-16(22)23-17(2,3)4)9-12-10-20(15(18)21)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3,(H2,18,21)(H,19,22)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 56984917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).