[(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate

C10H21NO4 — CID 175320906

IUPAC[(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](CO)C(C)(C)O
InChIInChI=1S/C10H21NO4/c1-9(2,3)11-8(13)15-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeyQKXMEMKARIYPDJ-SSDOTTSWSA-N
MW219.28 g/mol
LogP0.64
Rot. Bonds3

About [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate

[(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate (PubChem CID 175320906) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
PubChem CID175320906
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name[(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](CO)C(C)(C)O
InChIInChI=1S/C10H21NO4/c1-9(2,3)11-8(13)15-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeyQKXMEMKARIYPDJ-SSDOTTSWSA-N
XLogP0.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate (CID 175320906) is [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H](CO)C(C)(C)O.
What is the InChIKey of [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The InChIKey is QKXMEMKARIYPDJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H21NO4/c1-9(2,3)11-8(13)15-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)/t7-/m1/s1.
What are the key properties of [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
[(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175320906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).