tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate

C8H17NO3 — CID 13200309

IUPACtert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyPDAFIZPRSXHMCO-ZCFIWIBFSA-N
MW175.23 g/mol
LogP0.89
Rot. Bonds2

About tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate (PubChem CID 13200309) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
PubChem CID13200309
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
InChIKeyPDAFIZPRSXHMCO-ZCFIWIBFSA-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 tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate (CID 13200309) is tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate is C[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is PDAFIZPRSXHMCO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate 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 tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 13200309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).