methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate

C10H10FNO3 — CID 102028983

IUPACmethyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
SMILESCOC(=O)C(N)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H10FNO3/c1-15-10(14)8(12)9(13)6-3-2-4-7(11)5-6/h2-5,8H,12H2,1H3
InChIKeyPAOUZRROCIPEET-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.51
Rot. Bonds3

About methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate

methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate (PubChem CID 102028983) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
PubChem CID102028983
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Namemethyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
SMILESCOC(=O)C(N)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H10FNO3/c1-15-10(14)8(12)9(13)6-3-2-4-7(11)5-6/h2-5,8H,12H2,1H3
InChIKeyPAOUZRROCIPEET-UHFFFAOYSA-N
XLogP0.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.51
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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Related Compounds

2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
methyl 3-fluorobenzoate
CID 521184
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate;hydrochloride
CID 68768647
1-(3-fluorophenyl)-2-methoxypentan-1-one
CID 116708296
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
2-amino-1-(3-fluorophenyl)-4-methylsulfonylbutan-1-one
CID 116552047
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate?
The IUPAC name of methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate (CID 102028983) is methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate.
What is the SMILES notation for methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate?
The canonical SMILES for methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate is COC(=O)C(N)C(=O)c1cccc(F)c1.
What is the InChIKey of methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate?
The InChIKey is PAOUZRROCIPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-15-10(14)8(12)9(13)6-3-2-4-7(11)5-6/h2-5,8H,12H2,1H3.
What are the key properties of methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate?
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate has a molecular weight of 211.19 g/mol, XLogP of 0.51, 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-(3-fluorophenyl)-3-oxopropanoate is sourced from PubChem (CID 102028983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).