(1-amino-2-methylpropan-2-yl) acetate;hydrochloride

C6H14ClNO2 — CID 86587340

IUPAC(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
SMILESCC(=O)OC(C)(C)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(8)9-6(2,3)4-7;/h4,7H2,1-3H3;1H
InChIKeyDZKYEQGZLJSGGR-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds2

About (1-amino-2-methylpropan-2-yl) acetate;hydrochloride

(1-amino-2-methylpropan-2-yl) acetate;hydrochloride (PubChem CID 86587340) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
PubChem CID86587340
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
SMILESCC(=O)OC(C)(C)CN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(8)9-6(2,3)4-7;/h4,7H2,1-3H3;1H
InChIKeyDZKYEQGZLJSGGR-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) acetate;hydrochloride?
The IUPAC name of (1-amino-2-methylpropan-2-yl) acetate;hydrochloride (CID 86587340) is (1-amino-2-methylpropan-2-yl) acetate;hydrochloride.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) acetate;hydrochloride?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) acetate;hydrochloride is CC(=O)OC(C)(C)CN.Cl.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) acetate;hydrochloride?
The InChIKey is DZKYEQGZLJSGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-5(8)9-6(2,3)4-7;/h4,7H2,1-3H3;1H.
What are the key properties of (1-amino-2-methylpropan-2-yl) acetate;hydrochloride?
(1-amino-2-methylpropan-2-yl) acetate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) acetate;hydrochloride is sourced from PubChem (CID 86587340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).