1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate

C20H27NO3 — CID 175560778

IUPAC1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](CO)NC(=O)OC(C)(C)C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H17NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6(5-10)9-7(11)12-8(2,3)4/h1-10H;6,10H,5H2,1-4H3,(H,9,11)/t;6-/m.1/s1
InChIKeyMGXZQVLBMWYWLJ-FCXZQVPUSA-N
MW329.44 g/mol
LogP4.25
Rot. Bonds3

About 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate

1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate (PubChem CID 175560778) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Name1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
PubChem CID175560778
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](CO)NC(=O)OC(C)(C)C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H17NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6(5-10)9-7(11)12-8(2,3)4/h1-10H;6,10H,5H2,1-4H3,(H,9,11)/t;6-/m.1/s1
InChIKeyMGXZQVLBMWYWLJ-FCXZQVPUSA-N
XLogP4.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
CID 4623908
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(1-phenylpropan-2-ylamino)propan-2-yl]carbamate
CID 148813145
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylphenyl)butanoic acid
CID 123772508
tert-butyl N-[(2S)-3-(methylamino)-1-(4-phenylphenyl)butan-2-yl]carbamate
CID 67679684
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 58027482

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate (CID 175560778) is 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate is C[C@H](CO)NC(=O)OC(C)(C)C.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is MGXZQVLBMWYWLJ-FCXZQVPUSA-N. The full InChI is InChI=1S/C12H10.C8H17NO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6(5-10)9-7(11)12-8(2,3)4/h1-10H;6,10H,5H2,1-4H3,(H,9,11)/t;6-/m.1/s1.
What are the key properties of 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 175560778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).