2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid

C24H22N2O4 — CID 103666226

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid
SMILESO=C(NC(CCc1ccncc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22N2O4/c27-23(28)22(10-9-16-11-13-25-14-12-16)26-24(29)30-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11-14,21-22H,9-10,15H2,(H,26,29)(H,27,28)
InChIKeyFKBUYAZUIRMSJK-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.01
Rot. Bonds7

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid (PubChem CID 103666226) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid
PubChem CID103666226
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid
SMILESO=C(NC(CCc1ccncc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22N2O4/c27-23(28)22(10-9-16-11-13-25-14-12-16)26-24(29)30-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11-14,21-22H,9-10,15H2,(H,26,29)(H,27,28)
InChIKeyFKBUYAZUIRMSJK-UHFFFAOYSA-N
XLogP4.01
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid (CID 103666226) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid is O=C(NC(CCc1ccncc1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid?
The InChIKey is FKBUYAZUIRMSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-23(28)22(10-9-16-11-13-25-14-12-16)26-24(29)30-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11-14,21-22H,9-10,15H2,(H,26,29)(H,27,28).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid has a molecular weight of 402.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 103666226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).