tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate

C19H27NO5 — CID 102317944

IUPACtert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC1OCCO1
InChIInChI=1S/C19H27NO5/c1-19(2,3)25-18(22)20-15(13-14-7-5-4-6-8-14)16(21)9-10-17-23-11-12-24-17/h4-8,15,17H,9-13H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyKXPZMOXDAJCVQZ-HNNXBMFYSA-N
MW349.43 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate

tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate (PubChem CID 102317944) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate
PubChem CID102317944
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nametert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC1OCCO1
InChIInChI=1S/C19H27NO5/c1-19(2,3)25-18(22)20-15(13-14-7-5-4-6-8-14)16(21)9-10-17-23-11-12-24-17/h4-8,15,17H,9-13H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyKXPZMOXDAJCVQZ-HNNXBMFYSA-N
XLogP2.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2R,3S)-6-(1,3-dioxolan-2-yl)-4-oxo-2-phenylmethoxyhexan-3-yl]carbamate
CID 11728933
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CID 20726658
tert-butyl N-[(2S)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 15858562
1,4-dioxane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 70374272
tert-butyl N-[(1R)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]carbamate
CID 170874039
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-(4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl)carbamate
CID 21062213
tert-butyl N-[(2S)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]carbamate
CID 7021151
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate (CID 102317944) is tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC1OCCO1.
What is the InChIKey of tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate?
The InChIKey is KXPZMOXDAJCVQZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-19(2,3)25-18(22)20-15(13-14-7-5-4-6-8-14)16(21)9-10-17-23-11-12-24-17/h4-8,15,17H,9-13H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]carbamate is sourced from PubChem (CID 102317944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).