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

C15H21NO2 — CID 129371230

IUPACtert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyIYNXYMFBCOZXLY-ZDUSSCGKSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds1

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

tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 129371230) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID129371230
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyIYNXYMFBCOZXLY-ZDUSSCGKSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
CID 107237938
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
tert-butyl N-(1-sulfanyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamate
CID 91230280
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 97354698
tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 67920486

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 129371230) is tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2C1.
What is the InChIKey of tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is IYNXYMFBCOZXLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 129371230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).