methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride

C13H18ClNO3 — CID 11403018

IUPACmethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-10(14(2)9-12(15)17-3)13(16)11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H
InChIKeyHWTCGRMQXWTNNV-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.78
Rot. Bonds5

About methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride

methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride (PubChem CID 11403018) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride
PubChem CID11403018
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-10(14(2)9-12(15)17-3)13(16)11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H
InChIKeyHWTCGRMQXWTNNV-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride (CID 11403018) is methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride is COC(=O)CN(C)C(C)C(=O)c1ccccc1.Cl.
What is the InChIKey of methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
The InChIKey is HWTCGRMQXWTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c1-10(14(2)9-12(15)17-3)13(16)11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H.
What are the key properties of methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride is sourced from PubChem (CID 11403018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).