3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid

C17H24FNO5 — CID 120520259

IUPAC3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H24FNO5/c1-4-24-9-5-8-19(11-12(2)17(21)22)16(20)13-6-7-14(18)15(10-13)23-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,21,22)
InChIKeyWMMNOVBQEUXQHF-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.42
Rot. Bonds10

About 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid

3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid (PubChem CID 120520259) has the molecular formula C17H24FNO5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid
PubChem CID120520259
Molecular FormulaC17H24FNO5
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H24FNO5/c1-4-24-9-5-8-19(11-12(2)17(21)22)16(20)13-6-7-14(18)15(10-13)23-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,21,22)
InChIKeyWMMNOVBQEUXQHF-UHFFFAOYSA-N
XLogP2.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid
CID 119208488
3-[(5-chloropyridine-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 120520331
3-[3-ethoxypropyl-(3-pyrrol-1-ylbenzoyl)amino]-2-methylpropanoic acid
CID 119208614
3-[3-ethoxypropyl-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208559
3-[(1,5-dimethylpyrrole-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208438
3-[3-ethoxypropyl-(3-methylthiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208280
3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 119208314
3-[3-ethoxypropyl-(3-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 120520296
3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212
methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate
CID 95627920
3-[3-ethoxypropyl-(7-fluoro-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 119208299

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid (CID 120520259) is 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid is CCOCCCN(CC(C)C(=O)O)C(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is WMMNOVBQEUXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO5/c1-4-24-9-5-8-19(11-12(2)17(21)22)16(20)13-6-7-14(18)15(10-13)23-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,21,22).
What are the key properties of 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 341.38 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 120520259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).