tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate

C19H26N2O3 — CID 139397582

IUPACtert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc2c1C=CCC2
InChIInChI=1S/C19H26N2O3/c1-13(21-18(23)24-19(2,3)4)17(22)20-12-15-10-7-9-14-8-5-6-11-16(14)15/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyWIAXQXSVOMAFLN-ZDUSSCGKSA-N
MW330.43 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 139397582) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID139397582
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc2c1C=CCC2
InChIInChI=1S/C19H26N2O3/c1-13(21-18(23)24-19(2,3)4)17(22)20-12-15-10-7-9-14-8-5-6-11-16(14)15/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyWIAXQXSVOMAFLN-ZDUSSCGKSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
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tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 95177131
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tert-butyl N-[1-(2-methylprop-2-enylamino)-1-oxopropan-2-yl]carbamate
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tert-butyl N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
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tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 110409696
tert-butyl N-[3-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamate
CID 167024032
tert-butyl N-[1-[2-[(4-hydroxybenzoyl)amino]ethylamino]-1-oxopropan-2-yl]carbamate
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tert-butyl N-[(2R)-1-[[2-(6-bromo-2-pyridinyl)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate (CID 139397582) is tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc2c1C=CCC2.
What is the InChIKey of tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is WIAXQXSVOMAFLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(21-18(23)24-19(2,3)4)17(22)20-12-15-10-7-9-14-8-5-6-11-16(14)15/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 3.18, 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-(5,6-dihydronaphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 139397582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).