2-(3-fluorophenyl)-2-formamidopropanoic acid

C10H10FNO3 — CID 63687632

IUPAC2-(3-fluorophenyl)-2-formamidopropanoic acid
SMILESCC(NC=O)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H10FNO3/c1-10(9(14)15,12-6-13)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyIUYHRFNRXKRHRL-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.87
Rot. Bonds4

About 2-(3-fluorophenyl)-2-formamidopropanoic acid

2-(3-fluorophenyl)-2-formamidopropanoic acid (PubChem CID 63687632) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-formamidopropanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-formamidopropanoic acid
PubChem CID63687632
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-(3-fluorophenyl)-2-formamidopropanoic acid
SMILESCC(NC=O)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H10FNO3/c1-10(9(14)15,12-6-13)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyIUYHRFNRXKRHRL-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2-(2,5-difluorophenyl)-2-formamidopropanoic acid
CID 63687449
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
CID 114991216
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
CID 63689862
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
CID 161352808
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-formamidopropanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-formamidopropanoic acid (CID 63687632) is 2-(3-fluorophenyl)-2-formamidopropanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-formamidopropanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-formamidopropanoic acid is CC(NC=O)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-formamidopropanoic acid?
The InChIKey is IUYHRFNRXKRHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-10(9(14)15,12-6-13)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-fluorophenyl)-2-formamidopropanoic acid?
2-(3-fluorophenyl)-2-formamidopropanoic acid has a molecular weight of 211.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-formamidopropanoic acid is sourced from PubChem (CID 63687632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).