2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid

C23H24FN3O3 — CID 11350368

IUPAC2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid
SMILESCN(CCC(Nc1ccc(Oc2cccc(F)c2)cn1)c1ccccc1)CC(=O)O
InChIInChI=1S/C23H24FN3O3/c1-27(16-23(28)29)13-12-21(17-6-3-2-4-7-17)26-22-11-10-20(15-25-22)30-19-9-5-8-18(24)14-19/h2-11,14-15,21H,12-13,16H2,1H3,(H,25,26)(H,28,29)
InChIKeyRDPXJZBWYYSNTD-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.57
Rot. Bonds10

About 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid

2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid (PubChem CID 11350368) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid
PubChem CID11350368
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid
SMILESCN(CCC(Nc1ccc(Oc2cccc(F)c2)cn1)c1ccccc1)CC(=O)O
InChIInChI=1S/C23H24FN3O3/c1-27(16-23(28)29)13-12-21(17-6-3-2-4-7-17)26-22-11-10-20(15-25-22)30-19-9-5-8-18(24)14-19/h2-11,14-15,21H,12-13,16H2,1H3,(H,25,26)(H,28,29)
InChIKeyRDPXJZBWYYSNTD-UHFFFAOYSA-N
XLogP4.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid (CID 11350368) is 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid is CN(CCC(Nc1ccc(Oc2cccc(F)c2)cn1)c1ccccc1)CC(=O)O.
What is the InChIKey of 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid?
The InChIKey is RDPXJZBWYYSNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-27(16-23(28)29)13-12-21(17-6-3-2-4-7-17)26-22-11-10-20(15-25-22)30-19-9-5-8-18(24)14-19/h2-11,14-15,21H,12-13,16H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid?
2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid has a molecular weight of 409.46 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[5-(3-fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid is sourced from PubChem (CID 11350368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).