3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid

C23H20N2O4 — CID 67430524

IUPAC3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccnc1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20N2O4/c26-21(27)12-11-15-6-5-13-24-22(15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,13,20H,11-12,14H2,(H,26,27)(H,24,25,28)
InChIKeyLVENSABDYKTYJQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.46
Rot. Bonds6

About 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid

3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid (PubChem CID 67430524) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid
PubChem CID67430524
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccnc1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20N2O4/c26-21(27)12-11-15-6-5-13-24-22(15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,13,20H,11-12,14H2,(H,26,27)(H,24,25,28)
InChIKeyLVENSABDYKTYJQ-UHFFFAOYSA-N
XLogP4.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid?
The IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid (CID 67430524) is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid is O=C(O)CCc1cccnc1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid?
The InChIKey is LVENSABDYKTYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-21(27)12-11-15-6-5-13-24-22(15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,13,20H,11-12,14H2,(H,26,27)(H,24,25,28).
What are the key properties of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid?
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 67430524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).