methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride

C10H11Cl2NO3 — CID 11846497

IUPACmethyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride
SMILESCOC(=O)C(N)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H10ClNO3.ClH/c1-15-10(14)8(12)9(13)6-2-4-7(11)5-3-6;/h2-5,8H,12H2,1H3;1H
InChIKeyDTVAPCNCRMHIAU-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride

methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride (PubChem CID 11846497) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride
PubChem CID11846497
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Namemethyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride
SMILESCOC(=O)C(N)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H10ClNO3.ClH/c1-15-10(14)8(12)9(13)6-2-4-7(11)5-3-6;/h2-5,8H,12H2,1H3;1H
InChIKeyDTVAPCNCRMHIAU-UHFFFAOYSA-N
XLogP1.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride (CID 11846497) is methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride is COC(=O)C(N)C(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride?
The InChIKey is DTVAPCNCRMHIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3.ClH/c1-15-10(14)8(12)9(13)6-2-4-7(11)5-3-6;/h2-5,8H,12H2,1H3;1H.
What are the key properties of methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride?
methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride has a molecular weight of 264.11 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-chlorophenyl)-3-oxopropanoate;hydrochloride is sourced from PubChem (CID 11846497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).