2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid

C20H20FNO4 — CID 119202322

IUPAC2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid
SMILESCOc1ccc(-c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)c(F)c2)cc1
InChIInChI=1S/C20H20FNO4/c1-12(20(24)25)22(15-6-7-15)19(23)17-10-5-14(11-18(17)21)13-3-8-16(26-2)9-4-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,25)
InChIKeyIMSNUOZZUYCKNC-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.58
Rot. Bonds6

About 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid

2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid (PubChem CID 119202322) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid
PubChem CID119202322
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid
SMILESCOc1ccc(-c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)c(F)c2)cc1
InChIInChI=1S/C20H20FNO4/c1-12(20(24)25)22(15-6-7-15)19(23)17-10-5-14(11-18(17)21)13-3-8-16(26-2)9-4-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,25)
InChIKeyIMSNUOZZUYCKNC-UHFFFAOYSA-N
XLogP3.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid (CID 119202322) is 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid is COc1ccc(-c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)c(F)c2)cc1.
What is the InChIKey of 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid?
The InChIKey is IMSNUOZZUYCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-12(20(24)25)22(15-6-7-15)19(23)17-10-5-14(11-18(17)21)13-3-8-16(26-2)9-4-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,25).
What are the key properties of 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid?
2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid has a molecular weight of 357.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119202322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).