tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate

C17H28N2O3 — CID 107862352

IUPACtert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H28N2O3/c1-13(11-18-16(21)22-17(2,3)4)19-15(12-20)10-14-8-6-5-7-9-14/h5-9,13,15,19-20H,10-12H2,1-4H3,(H,18,21)/t13?,15-/m0/s1
InChIKeyLGYUWJLBHVPLGI-WUJWULDRSA-N
MW308.42 g/mol
LogP2.09
Rot. Bonds7

About tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate

tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate (PubChem CID 107862352) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
PubChem CID107862352
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H28N2O3/c1-13(11-18-16(21)22-17(2,3)4)19-15(12-20)10-14-8-6-5-7-9-14/h5-9,13,15,19-20H,10-12H2,1-4H3,(H,18,21)/t13?,15-/m0/s1
InChIKeyLGYUWJLBHVPLGI-WUJWULDRSA-N
XLogP2.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate
CID 136561418
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]carbamothioylamino]propanoic acid
CID 101484117
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15929386
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate (CID 107862352) is tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate?
The InChIKey is LGYUWJLBHVPLGI-WUJWULDRSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(11-18-16(21)22-17(2,3)4)19-15(12-20)10-14-8-6-5-7-9-14/h5-9,13,15,19-20H,10-12H2,1-4H3,(H,18,21)/t13?,15-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate?
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate is sourced from PubChem (CID 107862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).