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

C14H19NO3 — CID 118294491

IUPACtert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid
SMILESC[C@H](C(=O)c1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H19NO3/c1-10(15(13(17)18)14(2,3)4)12(16)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,17,18)/t10-/m1/s1
InChIKeyRJBCUHYHHWEOCS-SNVBAGLBSA-N
MW249.31 g/mol
LogP3.04
Rot. Bonds3

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

tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid (PubChem CID 118294491) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid
PubChem CID118294491
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid
SMILESC[C@H](C(=O)c1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H19NO3/c1-10(15(13(17)18)14(2,3)4)12(16)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,17,18)/t10-/m1/s1
InChIKeyRJBCUHYHHWEOCS-SNVBAGLBSA-N
XLogP3.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride
CID 131846820
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
tert-butyl-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 66716676
3-[benzoyl(tert-butyl)amino]-2-methylpropanoic acid
CID 82324552
tert-butyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68898508
tert-butyl-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 67404412
tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid
CID 70362824
1-tert-butyl-1-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-3-[(1R)-1-phenylethyl]thiourea
CID 132504333
2,2-dimethylpropane;diphenylmethanone
CID 159191976
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid (CID 118294491) is tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid is C[C@H](C(=O)c1ccccc1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid?
The InChIKey is RJBCUHYHHWEOCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(15(13(17)18)14(2,3)4)12(16)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,17,18)/t10-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 249.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 118294491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).