3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid

C12H14FNO4 — CID 82321758

IUPAC3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO4/c1-18-8-11(15)14(7-6-12(16)17)10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyAVCKODJOZJHZGT-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.28
Rot. Bonds6

About 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid

3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid (PubChem CID 82321758) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
PubChem CID82321758
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO4/c1-18-8-11(15)14(7-6-12(16)17)10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyAVCKODJOZJHZGT-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(diethylamino)-N-(2-methoxyacetyl)anilino]propanoic acid
CID 95534693
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773
3-[N-(2-methoxyacetyl)-3-(trifluoromethyl)anilino]propanoic acid
CID 82321756
3-(3-acetamido-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321782
3-(4-methyl-N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 115949224
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
3-(2,4-dichloro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 95534698
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 24526825

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid?
The IUPAC name of 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid (CID 82321758) is 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid.
What is the SMILES notation for 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid?
The canonical SMILES for 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid is COCC(=O)N(CCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid?
The InChIKey is AVCKODJOZJHZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-18-8-11(15)14(7-6-12(16)17)10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid?
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid is sourced from PubChem (CID 82321758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).