[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate

C13H26N2O5 — CID 91312567

IUPAC[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C)C(OC(N)=O)([C@H](CO)OC(N)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O5/c1-11(2,3)13(12(4,5)6,20-10(15)18)8(7-16)19-9(14)17/h8,16H,7H2,1-6H3,(H2,14,17)(H2,15,18)/t8-/m0/s1
InChIKeyBEYZHOMSZOMZMH-QMMMGPOBSA-N
MW290.36 g/mol
LogP1.37
Rot. Bonds4

About [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate

[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate (PubChem CID 91312567) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
PubChem CID91312567
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C)C(OC(N)=O)([C@H](CO)OC(N)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O5/c1-11(2,3)13(12(4,5)6,20-10(15)18)8(7-16)19-9(14)17/h8,16H,7H2,1-6H3,(H2,14,17)(H2,15,18)/t8-/m0/s1
InChIKeyBEYZHOMSZOMZMH-QMMMGPOBSA-N
XLogP1.37
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate (CID 91312567) is [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate is CC(C)(C)C(OC(N)=O)([C@H](CO)OC(N)=O)C(C)(C)C.
What is the InChIKey of [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
The InChIKey is BEYZHOMSZOMZMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-11(2,3)13(12(4,5)6,20-10(15)18)8(7-16)19-9(14)17/h8,16H,7H2,1-6H3,(H2,14,17)(H2,15,18)/t8-/m0/s1.
What are the key properties of [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate?
[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate has a molecular weight of 290.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 91312567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).