tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride

C11H24ClNO3 — CID 155820684

IUPACtert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(CN)OC(C)(C)C.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-10(2,3)14-8(7-12)9(13)15-11(4,5)6;/h8H,7,12H2,1-6H3;1H
InChIKeySTIBKECOGZAIFZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP1.89
Rot. Bonds3

About tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride

tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride (PubChem CID 155820684) has the molecular formula C11H24ClNO3 and a molecular weight of 253.77 g/mol. Its IUPAC name is tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride
PubChem CID155820684
Molecular FormulaC11H24ClNO3
Molecular Weight253.77 g/mol
Exact Mass253.14
IUPAC Nametert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(CN)OC(C)(C)C.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-10(2,3)14-8(7-12)9(13)15-11(4,5)6;/h8H,7,12H2,1-6H3;1H
InChIKeySTIBKECOGZAIFZ-UHFFFAOYSA-N
XLogP1.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride?
The IUPAC name of tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride (CID 155820684) is tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride.
What is the SMILES notation for tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride?
The canonical SMILES for tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride is CC(C)(C)OC(=O)C(CN)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride?
The InChIKey is STIBKECOGZAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.ClH/c1-10(2,3)14-8(7-12)9(13)15-11(4,5)6;/h8H,7,12H2,1-6H3;1H.
What are the key properties of tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride?
tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride is sourced from PubChem (CID 155820684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).