tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate

C15H23NO3 — CID 96581873

IUPACtert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(16-14(18)19-15(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyPYPYJCKGJSFJQB-YPMHNXCESA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate

tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate (PubChem CID 96581873) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
PubChem CID96581873
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(16-14(18)19-15(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyPYPYJCKGJSFJQB-YPMHNXCESA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
tert-butyl N-[(2S,3R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate
CID 140541784
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
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-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-[(2S,3R)-3-hydroxy-6-methyl-5-methylidene-1-phenylheptan-2-yl]carbamate
CID 10404599
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
CID 101486195
CID 101486195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate (CID 96581873) is tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate?
The InChIKey is PYPYJCKGJSFJQB-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-14(18)19-15(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate?
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 96581873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).