tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

C16H23NO3 — CID 146389218

IUPACtert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESCc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2O
InChIInChI=1S/C16H23NO3/c1-10-5-6-11-12(9-10)13(7-8-14(11)18)17-15(19)20-16(2,3)4/h5-6,9,13-14,18H,7-8H2,1-4H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyUXXFMNHTXPYDGJ-KBPBESRZSA-N
MW277.36 g/mol
LogP3.39
Rot. Bonds1

About tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (PubChem CID 146389218) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
PubChem CID146389218
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESCc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2O
InChIInChI=1S/C16H23NO3/c1-10-5-6-11-12(9-10)13(7-8-14(11)18)17-15(19)20-16(2,3)4/h5-6,9,13-14,18H,7-8H2,1-4H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyUXXFMNHTXPYDGJ-KBPBESRZSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-2-[[(8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7,8-dihydro-6H-naphthalen-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 155154850
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
tert-butyl N-(8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamate
CID 130003978
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107237644
2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 59423764
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (CID 146389218) is tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is Cc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2O.
What is the InChIKey of tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The InChIKey is UXXFMNHTXPYDGJ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-5-6-11-12(9-10)13(7-8-14(11)18)17-15(19)20-16(2,3)4/h5-6,9,13-14,18H,7-8H2,1-4H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 146389218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).