2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid

C21H23FN2O3 — CID 58565033

IUPAC2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid
SMILESCCN(Cc1cc(F)ccc1-c1cncc(C(C)C(=O)O)c1)C(=O)C1CC1
InChIInChI=1S/C21H23FN2O3/c1-3-24(20(25)14-4-5-14)12-17-9-18(22)6-7-19(17)16-8-15(10-23-11-16)13(2)21(26)27/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,27)
InChIKeyOSTZQHOCSVZWNP-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.83
Rot. Bonds7

About 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid

2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid (PubChem CID 58565033) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid
PubChem CID58565033
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid
SMILESCCN(Cc1cc(F)ccc1-c1cncc(C(C)C(=O)O)c1)C(=O)C1CC1
InChIInChI=1S/C21H23FN2O3/c1-3-24(20(25)14-4-5-14)12-17-9-18(22)6-7-19(17)16-8-15(10-23-11-16)13(2)21(26)27/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,27)
InChIKeyOSTZQHOCSVZWNP-UHFFFAOYSA-N
XLogP3.83
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid?
The IUPAC name of 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid (CID 58565033) is 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid is CCN(Cc1cc(F)ccc1-c1cncc(C(C)C(=O)O)c1)C(=O)C1CC1.
What is the InChIKey of 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid?
The InChIKey is OSTZQHOCSVZWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-3-24(20(25)14-4-5-14)12-17-9-18(22)6-7-19(17)16-8-15(10-23-11-16)13(2)21(26)27/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,27).
What are the key properties of 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid?
2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid has a molecular weight of 370.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid is sourced from PubChem (CID 58565033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).