tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid

C14H21NO2 — CID 66990689

IUPACtert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
SMILESC[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15(13(16)17)14(2,3)4/h5-9,11H,10H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyCXXFYUREEOVOKO-LLVKDONJSA-N
MW235.33 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid

tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid (PubChem CID 66990689) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
PubChem CID66990689
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
SMILESC[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15(13(16)17)14(2,3)4/h5-9,11H,10H2,1-4H3,(H,16,17)/t11-/m1/s1
InChIKeyCXXFYUREEOVOKO-LLVKDONJSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 66716676
tert-butyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68898508
tert-butyl-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67430309
tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 68573466
[(2S)-4-[benzyl-[(3S)-3-[tert-butyl(carboxy)amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-tert-butylcarbamic acid
CID 57367540
tert-butyl-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]carbamic acid
CID 91256407
tert-butyl-[3-hydroxy-4-[(2-methylpropan-2-yl)oxyamino]-1-phenylbutan-2-yl]carbamic acid
CID 91123119
tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid
CID 118294491
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
tert-butyl N-oxido-N-(1-phenylpropan-2-yl)carbamate
CID 87963994
1-aminopropan-2-yl(tert-butyl)carbamic acid
CID 18956038
tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid
CID 71269237

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid (CID 66990689) is tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid is C[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid?
The InChIKey is CXXFYUREEOVOKO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15(13(16)17)14(2,3)4/h5-9,11H,10H2,1-4H3,(H,16,17)/t11-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 235.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 66990689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).