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

C15H20FNO4 — CID 65434948

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 Name3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
PubChem CID65434948
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name3-[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
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 60826322
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
CID 65432054
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid
CID 54926194

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).