tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate

C18H24N2O5 — CID 67549916

IUPACtert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N2O5/c1-12(19-17(23)25-18(2,3)4)16(22)20-10-15(21)24-11-14(20)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,19,23)/t12-,14+/m0/s1
InChIKeyHCUXVWPNJPKMMP-GXTWGEPZSA-N
MW348.40 g/mol
LogP2.03
Rot. Bonds3

About tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate (PubChem CID 67549916) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate
PubChem CID67549916
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nametert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N2O5/c1-12(19-17(23)25-18(2,3)4)16(22)20-10-15(21)24-11-14(20)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,19,23)/t12-,14+/m0/s1
InChIKeyHCUXVWPNJPKMMP-GXTWGEPZSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1R)-2-(8-bromo-5,7-dioxo-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-6-yl)-1-phenylethyl]carbamate
CID 150223419
tert-butyl 4,5-dimethyl-3-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)hexanoate
CID 21358821
tert-butyl N-[(2S)-1-[(2S)-2-(2-formylbenzoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 88502200
tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
CID 118193058
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl N-[(1R,4Z,8S)-8-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidine-3-carbonyl]cyclooct-4-en-1-yl]carbamate
CID 101472499
3-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]-4-oxo-2,2-diphenylpentanoic acid
CID 175263182
S-phenyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 58517097
tert-butyl N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 26791694
tert-butyl 2-[2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoylamino]propanoate
CID 134918076
methyl (2S)-2-[[(2S,3S,4S)-4-methyl-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-phenylazetidine-2-carbonyl]amino]propanoate
CID 101261722
tert-butyl N-[1-oxo-1-[2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)carbamoyl]piperidin-1-yl]propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate (CID 67549916) is tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate?
The InChIKey is HCUXVWPNJPKMMP-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(19-17(23)25-18(2,3)4)16(22)20-10-15(21)24-11-14(20)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,19,23)/t12-,14+/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-oxo-1-[(5S)-2-oxo-5-phenylmorpholin-4-yl]propan-2-yl]carbamate is sourced from PubChem (CID 67549916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).