3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid

Name: 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₀FNO₄ — CID 65434948

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid

SMILESCOc1cccc(F)c1C(=O)N(CCC(=O)O)C(C)(C)C

InChIInChI=1S/C15H20FNO4/c1-15(2,3)17(9-8-12(18)19)14(20)13-10(16)6-5-7-11(13)21-4/h5-7H,8-9H2,1-4H3,(H,18,19)

InChIKeyNWLBPRXYVPLVTJ-UHFFFAOYSA-N

MW297.33 g/mol

LogP2.55

Rot. Bonds5

About 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid

3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid (PubChem CID 65434948) has the molecular formula C₁₅H₂₀FNO₄ and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name	3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
PubChem CID	65434948
Molecular Formula	C₁₅H₂₀FNO₄
Molecular Weight	297.33 g/mol
Exact Mass	297.14
IUPAC Name	3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
SMILES	COc1cccc(F)c1C(=O)N(CCC(=O)O)C(C)(C)C
InChI	InChI=1S/C15H20FNO4/c1-15(2,3)17(9-8-12(18)19)14(20)13-10(16)6-5-7-11(13)21-4/h5-7H,8-9H2,1-4H3,(H,18,19)
InChIKey	NWLBPRXYVPLVTJ-UHFFFAOYSA-N
XLogP	2.55
TPSA	66.84 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.33
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?

The IUPAC name of 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid (CID 65434948) is 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid.

What is the SMILES notation for 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?

The canonical SMILES for 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid is COc1cccc(F)c1C(=O)N(CCC(=O)O)C(C)(C)C.

What is the InChIKey of 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?

The InChIKey is NWLBPRXYVPLVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-15(2,3)17(9-8-12(18)19)14(20)13-10(16)6-5-7-11(13)21-4/h5-7H,8-9H2,1-4H3,(H,18,19).

What are the key properties of 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid?

3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 65434948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 65434948 — identifiers, structure, computed properties (public domain)

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