3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid

C23H25NO4 — CID 2756122

IUPAC3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C23H25NO4/c25-22(26)10-9-16-11-13-24(14-12-16)23(27)28-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21H,9-15H2,(H,25,26)
InChIKeySGFYVVYWQGGISK-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.51
Rot. Bonds5

About 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid

3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid (PubChem CID 2756122) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid
PubChem CID2756122
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C23H25NO4/c25-22(26)10-9-16-11-13-24(14-12-16)23(27)28-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21H,9-15H2,(H,25,26)
InChIKeySGFYVVYWQGGISK-UHFFFAOYSA-N
XLogP4.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid (CID 2756122) is 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is SGFYVVYWQGGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c25-22(26)10-9-16-11-13-24(14-12-16)23(27)28-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21H,9-15H2,(H,25,26).
What are the key properties of 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid?
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 2756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).