propan-2-yl 3-amino-2-methylpropanoate;hydrochloride

C7H16ClNO2 — CID 54595850

IUPACpropan-2-yl 3-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)OC(=O)C(C)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)10-7(9)6(3)4-8;/h5-6H,4,8H2,1-3H3;1H
InChIKeyKGYOCESIVZMQIA-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.95
Rot. Bonds3

About propan-2-yl 3-amino-2-methylpropanoate;hydrochloride

propan-2-yl 3-amino-2-methylpropanoate;hydrochloride (PubChem CID 54595850) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is propan-2-yl 3-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 3-amino-2-methylpropanoate;hydrochloride
PubChem CID54595850
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namepropan-2-yl 3-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)OC(=O)C(C)CN.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)10-7(9)6(3)4-8;/h5-6H,4,8H2,1-3H3;1H
InChIKeyKGYOCESIVZMQIA-UHFFFAOYSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of propan-2-yl 3-amino-2-methylpropanoate;hydrochloride (CID 54595850) is propan-2-yl 3-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for propan-2-yl 3-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for propan-2-yl 3-amino-2-methylpropanoate;hydrochloride is CC(C)OC(=O)C(C)CN.Cl.
What is the InChIKey of propan-2-yl 3-amino-2-methylpropanoate;hydrochloride?
The InChIKey is KGYOCESIVZMQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)10-7(9)6(3)4-8;/h5-6H,4,8H2,1-3H3;1H.
What are the key properties of propan-2-yl 3-amino-2-methylpropanoate;hydrochloride?
propan-2-yl 3-amino-2-methylpropanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 54595850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).