tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate

C15H23NO3 — CID 162715602

IUPACtert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
SMILESCOC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)16-13(11-18-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyJWVFWHYQIUSNJK-CYBMUJFWSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds5

About tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate (PubChem CID 162715602) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
PubChem CID162715602
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
SMILESCOC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)16-13(11-18-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyJWVFWHYQIUSNJK-CYBMUJFWSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348
S-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] ethanethioate
CID 11077758
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287
4,5-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]benzoic acid
CID 174204714
tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate (CID 162715602) is tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate is COC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate?
The InChIKey is JWVFWHYQIUSNJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(17)16-13(11-18-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 162715602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).