2-methylpropyl 2-amino-2-phenylacetate;hydrochloride

C12H18ClNO2 — CID 3071035

IUPAC2-methylpropyl 2-amino-2-phenylacetate;hydrochloride
SMILESCC(C)COC(=O)C(N)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChIKeyHOZUMFPDEJXSKZ-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.31
Rot. Bonds4

About 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride

2-methylpropyl 2-amino-2-phenylacetate;hydrochloride (PubChem CID 3071035) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name2-methylpropyl 2-amino-2-phenylacetate;hydrochloride
PubChem CID3071035
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-methylpropyl 2-amino-2-phenylacetate;hydrochloride
SMILESCC(C)COC(=O)C(N)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChIKeyHOZUMFPDEJXSKZ-UHFFFAOYSA-N
XLogP2.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride?
The IUPAC name of 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride (CID 3071035) is 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride.
What is the SMILES notation for 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride?
The canonical SMILES for 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride is CC(C)COC(=O)C(N)c1ccccc1.Cl.
What is the InChIKey of 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride?
The InChIKey is HOZUMFPDEJXSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H.
What are the key properties of 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride?
2-methylpropyl 2-amino-2-phenylacetate;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-2-phenylacetate;hydrochloride is sourced from PubChem (CID 3071035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).