tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate

C15H21NO3 — CID 58912430

IUPACtert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,13H,10H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyDMMVKJGUXXSORJ-CYBMUJFWSA-N
MW263.34 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate

tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate (PubChem CID 58912430) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
PubChem CID58912430
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,13H,10H2,1-4H3,(H,16,18)/t13-/m1/s1
InChIKeyDMMVKJGUXXSORJ-CYBMUJFWSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoic acid
CID 18786657
CID 101486195
CID 101486195
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate
CID 22747896
tert-butyl N-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15225080
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
tert-butyl N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]carbamate
CID 70105453
methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoate
CID 10063801
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 14020970
tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10918947
tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate (CID 58912430) is tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate is CC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
The InChIKey is DMMVKJGUXXSORJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,13H,10H2,1-4H3,(H,16,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 58912430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).