methyl 2-amino-3-oxo-3-phenylpropanoate

C10H11NO3 — CID 13290648

IUPACmethyl 2-amino-3-oxo-3-phenylpropanoate
SMILESCOC(=O)C(N)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-14-10(13)8(11)9(12)7-5-3-2-4-6-7/h2-6,8H,11H2,1H3
InChIKeyWVRQHSWSAXRQGK-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.37
Rot. Bonds3

About methyl 2-amino-3-oxo-3-phenylpropanoate

methyl 2-amino-3-oxo-3-phenylpropanoate (PubChem CID 13290648) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-amino-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-oxo-3-phenylpropanoate
PubChem CID13290648
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-amino-3-oxo-3-phenylpropanoate
SMILESCOC(=O)C(N)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-14-10(13)8(11)9(12)7-5-3-2-4-6-7/h2-6,8H,11H2,1H3
InChIKeyWVRQHSWSAXRQGK-UHFFFAOYSA-N
XLogP0.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.37
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-oxo-3-phenylpropanoate?
The IUPAC name of methyl 2-amino-3-oxo-3-phenylpropanoate (CID 13290648) is methyl 2-amino-3-oxo-3-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-3-oxo-3-phenylpropanoate?
The canonical SMILES for methyl 2-amino-3-oxo-3-phenylpropanoate is COC(=O)C(N)C(=O)c1ccccc1.
What is the InChIKey of methyl 2-amino-3-oxo-3-phenylpropanoate?
The InChIKey is WVRQHSWSAXRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)8(11)9(12)7-5-3-2-4-6-7/h2-6,8H,11H2,1H3.
What are the key properties of methyl 2-amino-3-oxo-3-phenylpropanoate?
methyl 2-amino-3-oxo-3-phenylpropanoate has a molecular weight of 193.20 g/mol, XLogP of 0.37, 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-oxo-3-phenylpropanoate is sourced from PubChem (CID 13290648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).