tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate

C24H46N6O3S — CID 167936189

IUPACtert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate
SMILESCC[C@H](COC(C)(C)C)NC(c1nnnn1CCSC)C1(CNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C24H46N6O3S/c1-9-18(16-32-22(2,3)4)26-19(20-27-28-29-30(20)14-15-34-8)24(12-10-11-13-24)17-25-21(31)33-23(5,6)7/h18-19,26H,9-17H2,1-8H3,(H,25,31)/t18-,19?/m1/s1
InChIKeyLXYBFGFOAJTMPY-MRTLOADZSA-N
MW498.74 g/mol
LogP4.35
Rot. Bonds12

About tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate

tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate (PubChem CID 167936189) has the molecular formula C24H46N6O3S and a molecular weight of 498.74 g/mol. Its IUPAC name is tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate
PubChem CID167936189
Molecular FormulaC24H46N6O3S
Molecular Weight498.74 g/mol
Exact Mass498.34
IUPAC Nametert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate
SMILESCC[C@H](COC(C)(C)C)NC(c1nnnn1CCSC)C1(CNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C24H46N6O3S/c1-9-18(16-32-22(2,3)4)26-19(20-27-28-29-30(20)14-15-34-8)24(12-10-11-13-24)17-25-21(31)33-23(5,6)7/h18-19,26H,9-17H2,1-8H3,(H,25,31)/t18-,19?/m1/s1
InChIKeyLXYBFGFOAJTMPY-MRTLOADZSA-N
XLogP4.35
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.74
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate with MolForge

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Related Compounds

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CID 67159691
tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
CID 104867074
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 162342994
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide;tert-butyl N-[[1-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]cyclohexyl]methyl]carbamate
CID 158321725
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
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tert-butyl N-[1-(3-methylsulfanylpropylamino)butan-2-yl]carbamate
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tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
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2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate (CID 167936189) is tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate is CC[C@H](COC(C)(C)C)NC(c1nnnn1CCSC)C1(CNC(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate?
The InChIKey is LXYBFGFOAJTMPY-MRTLOADZSA-N. The full InChI is InChI=1S/C24H46N6O3S/c1-9-18(16-32-22(2,3)4)26-19(20-27-28-29-30(20)14-15-34-8)24(12-10-11-13-24)17-25-21(31)33-23(5,6)7/h18-19,26H,9-17H2,1-8H3,(H,25,31)/t18-,19?/m1/s1.
What are the key properties of tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate?
tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate has a molecular weight of 498.74 g/mol, XLogP of 4.35, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 167936189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).