methyl 2-(3-amino-4-fluorophenoxy)propanoate

C10H12FNO3 — CID 66717597

IUPACmethyl 2-(3-amino-4-fluorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccc(F)c(N)c1
InChIInChI=1S/C10H12FNO3/c1-6(10(13)14-2)15-7-3-4-8(11)9(12)5-7/h3-6H,12H2,1-2H3
InChIKeyJWNJGWPCLYPSOV-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.35
Rot. Bonds3

About methyl 2-(3-amino-4-fluorophenoxy)propanoate

methyl 2-(3-amino-4-fluorophenoxy)propanoate (PubChem CID 66717597) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 2-(3-amino-4-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-amino-4-fluorophenoxy)propanoate
PubChem CID66717597
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-(3-amino-4-fluorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccc(F)c(N)c1
InChIInChI=1S/C10H12FNO3/c1-6(10(13)14-2)15-7-3-4-8(11)9(12)5-7/h3-6H,12H2,1-2H3
InChIKeyJWNJGWPCLYPSOV-UHFFFAOYSA-N
XLogP1.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-(3-amino-4-fluorophenoxy)propanoate
CID 170783565
methyl (2S)-2-(3-amino-4-methylsulfanylphenoxy)propanoate
CID 171788238
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
methyl 2-[4-(4-amino-2-fluorophenoxy)-2-fluorophenoxy]propanoate
CID 14855595
methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
CID 22073037
methyl 2-[4-(4-chloroanilino)phenoxy]propanoate
CID 13083957
methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline
CID 58022078
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-4-fluorophenoxy)propanoate?
The IUPAC name of methyl 2-(3-amino-4-fluorophenoxy)propanoate (CID 66717597) is methyl 2-(3-amino-4-fluorophenoxy)propanoate.
What is the SMILES notation for methyl 2-(3-amino-4-fluorophenoxy)propanoate?
The canonical SMILES for methyl 2-(3-amino-4-fluorophenoxy)propanoate is COC(=O)C(C)Oc1ccc(F)c(N)c1.
What is the InChIKey of methyl 2-(3-amino-4-fluorophenoxy)propanoate?
The InChIKey is JWNJGWPCLYPSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6(10(13)14-2)15-7-3-4-8(11)9(12)5-7/h3-6H,12H2,1-2H3.
What are the key properties of methyl 2-(3-amino-4-fluorophenoxy)propanoate?
methyl 2-(3-amino-4-fluorophenoxy)propanoate has a molecular weight of 213.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-4-fluorophenoxy)propanoate is sourced from PubChem (CID 66717597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).