3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid

C23H20N2O4 — CID 67429201

IUPAC3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccnc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H20N2O4/c26-22(27)10-9-15-11-12-24-21(13-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,11-13,20H,9-10,14H2,(H,26,27)(H,24,25,28)
InChIKeyRNYATJWDHQUFPP-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.46
Rot. Bonds6

About 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid

3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid (PubChem CID 67429201) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid
PubChem CID67429201
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccnc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H20N2O4/c26-22(27)10-9-15-11-12-24-21(13-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,11-13,20H,9-10,14H2,(H,26,27)(H,24,25,28)
InChIKeyRNYATJWDHQUFPP-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

Analyze 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-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 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid?
The IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid (CID 67429201) is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid?
The canonical SMILES for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid is O=C(O)CCc1ccnc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid?
The InChIKey is RNYATJWDHQUFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(27)10-9-15-11-12-24-21(13-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,11-13,20H,9-10,14H2,(H,26,27)(H,24,25,28).
What are the key properties of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridinyl]propanoic acid?
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-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)-4-pyridinyl]propanoic acid is sourced from PubChem (CID 67429201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).