tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate

C14H23NO6 — CID 134864822

IUPACtert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]([C@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-8-6-9(19-11(8)16)10-7-18-14(4,5)20-10/h8-10H,6-7H2,1-5H3,(H,15,17)/t8-,9+,10+/m0/s1
InChIKeyJFVBFXGLAINGLT-IVZWLZJFSA-N
MW301.34 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate

tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate (PubChem CID 134864822) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate
PubChem CID134864822
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]([C@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-8-6-9(19-11(8)16)10-7-18-14(4,5)20-10/h8-10H,6-7H2,1-5H3,(H,15,17)/t8-,9+,10+/m0/s1
InChIKeyJFVBFXGLAINGLT-IVZWLZJFSA-N
XLogP1.35
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate (CID 134864822) is tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H]([C@H]2COC(C)(C)O2)OC1=O.
What is the InChIKey of tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate?
The InChIKey is JFVBFXGLAINGLT-IVZWLZJFSA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-8-6-9(19-11(8)16)10-7-18-14(4,5)20-10/h8-10H,6-7H2,1-5H3,(H,15,17)/t8-,9+,10+/m0/s1.
What are the key properties of tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate?
tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 134864822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).