tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate

C9H19NO3 — CID 10976271

IUPACtert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate
SMILESC[C@H](CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(6-11)5-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyBDAXTHWMUZLOHK-ZETCQYMHSA-N
MW189.25 g/mol
LogP1.14
Rot. Bonds3

About tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate

tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate (PubChem CID 10976271) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate
PubChem CID10976271
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate
SMILESC[C@H](CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(6-11)5-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyBDAXTHWMUZLOHK-ZETCQYMHSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate (CID 10976271) is tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate is C[C@H](CO)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate?
The InChIKey is BDAXTHWMUZLOHK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(6-11)5-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate?
tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-hydroxy-2-methylpropyl]carbamate is sourced from PubChem (CID 10976271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).