[(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate

C8H17NO3 — CID 118237081

IUPAC[(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate
SMILESC[C@@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(5-10)12-7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyYWIOJNVKYXZPOU-LURJTMIESA-N
MW175.23 g/mol
LogP0.89
Rot. Bonds2

About [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate

[(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate (PubChem CID 118237081) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate
PubChem CID118237081
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate
SMILESC[C@@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(5-10)12-7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyYWIOJNVKYXZPOU-LURJTMIESA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate (CID 118237081) is [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate is C[C@@H](CO)OC(=O)NC(C)(C)C.
What is the InChIKey of [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate?
The InChIKey is YWIOJNVKYXZPOU-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(5-10)12-7(11)9-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1.
What are the key properties of [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate?
[(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate has a molecular weight of 175.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxypropan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 118237081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).