[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid

C8H18N2O3 — CID 118073922

IUPAC[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
SMILESC[C@H](CON)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-6(5-13-9)10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyPWCDTKFKPYHMER-ZCFIWIBFSA-N
MW190.24 g/mol
LogP1.04
Rot. Bonds3

About [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid

[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid (PubChem CID 118073922) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
PubChem CID118073922
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
SMILESC[C@H](CON)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-6(5-13-9)10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyPWCDTKFKPYHMER-ZCFIWIBFSA-N
XLogP1.04
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid?
The IUPAC name of [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid (CID 118073922) is [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid?
The canonical SMILES for [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid is C[C@H](CON)N(C(=O)O)C(C)(C)C.
What is the InChIKey of [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid?
The InChIKey is PWCDTKFKPYHMER-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-6(5-13-9)10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)/t6-/m1/s1.
What are the key properties of [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid?
[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid has a molecular weight of 190.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 118073922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).