tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate

C10H21NO3 — CID 11241137

IUPACtert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1
InChIKeyOOQRRYDVICNJGC-QMMMGPOBSA-N
MW203.28 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate

tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 11241137) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID11241137
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1
InChIKeyOOQRRYDVICNJGC-QMMMGPOBSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate (CID 11241137) is tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate is CC(C)[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is OOQRRYDVICNJGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.53, 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)-1-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 11241137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).