(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid

C23H20N2O4 — CID 2734472

IUPAC(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
SMILESO=C(N[C@H](Cc1cccnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m1/s1
InChIKeyJQLPMTXRCLXOJO-OAQYLSRUSA-N
MW388.42 g/mol
LogP3.62
Rot. Bonds6

About (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid (PubChem CID 2734472) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
PubChem CID2734472
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
SMILESO=C(N[C@H](Cc1cccnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m1/s1
InChIKeyJQLPMTXRCLXOJO-OAQYLSRUSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid (CID 2734472) is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid is O=C(N[C@H](Cc1cccnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
The InChIKey is JQLPMTXRCLXOJO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid has a molecular weight of 388.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 2734472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).