tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate

C9H19NO3 — CID 58618391

IUPACtert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate
SMILES[2H]C(O)C([2H])[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1/i5D,6D/t5?,6?,7-
InChIKeyJSZOAOLSEKSNTD-XOSOCEOQSA-N
MW191.27 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate (PubChem CID 58618391) has the molecular formula C9H19NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate
PubChem CID58618391
Molecular FormulaC9H19NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Nametert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate
SMILES[2H]C(O)C([2H])[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1/i5D,6D/t5?,6?,7-
InChIKeyJSZOAOLSEKSNTD-XOSOCEOQSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-3,4-dideuterio-4-sulfanylbutan-2-yl]carbamate
CID 58618386
tert-butyl N-[(2R,3R,4R)-3,4-dideuterio-4-methylsulfanylbutan-2-yl]carbamate
CID 91870544
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-(5-oxohexan-2-yl)carbamate
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tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
CID 172915809
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 10753379
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
CID 21030199
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
CID 107247028

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate (CID 58618391) is tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate is [2H]C(O)C([2H])[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate?
The InChIKey is JSZOAOLSEKSNTD-XOSOCEOQSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1/i5D,6D/t5?,6?,7-.
What are the key properties of tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate has a molecular weight of 191.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 58618391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).