(2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate

C21H18N2O6 — CID 54003204

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)On1c(O)ccc1O
InChIInChI=1S/C21H18N2O6/c24-18-9-10-19(25)23(18)29-20(26)11-22-21(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,24-25H,11-12H2,(H,22,27)
InChIKeyKNBDCJVVUPKHEI-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.39
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate

(2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate (PubChem CID 54003204) has the molecular formula C21H18N2O6 and a molecular weight of 394.38 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
PubChem CID54003204
Molecular FormulaC21H18N2O6
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)On1c(O)ccc1O
InChIInChI=1S/C21H18N2O6/c24-18-9-10-19(25)23(18)29-20(26)11-22-21(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,24-25H,11-12H2,(H,22,27)
InChIKeyKNBDCJVVUPKHEI-UHFFFAOYSA-N
XLogP2.39
TPSA110.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate (CID 54003204) is (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate is O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The InChIKey is KNBDCJVVUPKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6/c24-18-9-10-19(25)23(18)29-20(26)11-22-21(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,24-25H,11-12H2,(H,22,27).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
(2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate has a molecular weight of 394.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate is sourced from PubChem (CID 54003204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).