tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate

C19H28N2O5 — CID 162695525

IUPACtert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CN1CC[C@H](OCc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-18(24)20-15(12-22)11-21-10-9-16(17(21)23)25-13-14-7-5-4-6-8-14/h4-8,15-16,22H,9-13H2,1-3H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyKAJGFZKGNJHPCS-HOTGVXAUSA-N
MW364.44 g/mol
LogP1.69
Rot. Bonds7

About tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate (PubChem CID 162695525) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate
PubChem CID162695525
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CN1CC[C@H](OCc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-18(24)20-15(12-22)11-21-10-9-16(17(21)23)25-13-14-7-5-4-6-8-14/h4-8,15-16,22H,9-13H2,1-3H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyKAJGFZKGNJHPCS-HOTGVXAUSA-N
XLogP1.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene
CID 144830570
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
tert-butyl N-[(2S)-1-benzylsulfanyl-3-hydroxypropan-2-yl]carbamate
CID 51340400
benzyl (3S)-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 68515882
tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate
CID 10364462
benzyl N-[(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 59199757
benzyl N-[2-[[2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetyl]amino]ethyl]carbamate
CID 11568245
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid
CID 13391120
tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
CID 165341882
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R)-1-phenylmethoxycarbonylpiperidin-2-yl]acetic acid
CID 93077883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate (CID 162695525) is tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)CN1CC[C@H](OCc2ccccc2)C1=O.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate?
The InChIKey is KAJGFZKGNJHPCS-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-19(2,3)26-18(24)20-15(12-22)11-21-10-9-16(17(21)23)25-13-14-7-5-4-6-8-14/h4-8,15-16,22H,9-13H2,1-3H3,(H,20,24)/t15-,16-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate has a molecular weight of 364.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-phenylmethoxypyrrolidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 162695525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).