tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate

C8H18N2O2 — CID 15030821

IUPACtert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate
SMILESC[C@@H](CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyJQXZBJAAOLPTKP-LURJTMIESA-N
MW174.24 g/mol
LogP0.86
Rot. Bonds2

About tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate (PubChem CID 15030821) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate
PubChem CID15030821
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate
SMILESC[C@@H](CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyJQXZBJAAOLPTKP-LURJTMIESA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.86
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)-1-aminopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate (CID 15030821) is tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate is C[C@@H](CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate?
The InChIKey is JQXZBJAAOLPTKP-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate is sourced from PubChem (CID 15030821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).