methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate

C28H26N2O6 — CID 170835557

IUPACmethyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1
InChIInChI=1S/C28H26N2O6/c1-35-27(33)16-10-11-21-22(13-29-24(21)12-16)26(32)25(31)14-30-28(34)36-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,23,25-26,29,31-32H,14-15H2,1H3,(H,30,34)
InChIKeyIYBWOWAHHWNECB-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.89
Rot. Bonds7

About methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate

methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate (PubChem CID 170835557) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate
PubChem CID170835557
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC Namemethyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1
InChIInChI=1S/C28H26N2O6/c1-35-27(33)16-10-11-21-22(13-29-24(21)12-16)26(32)25(31)14-30-28(34)36-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,23,25-26,29,31-32H,14-15H2,1H3,(H,30,34)
InChIKeyIYBWOWAHHWNECB-UHFFFAOYSA-N
XLogP3.89
TPSA120.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate with MolForge

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Related Compounds

methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4-fluorobenzoate
CID 170834723
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170833857
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
CID 170834777
methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]pyridine-3-carboxylate
CID 170834625
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833729
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propyl]carbamate
CID 170834869
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
CID 170834333
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]pyridine-2-carboxylate
CID 170834626

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate (CID 170835557) is methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate is COC(=O)c1ccc2c(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1.
What is the InChIKey of methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate?
The InChIKey is IYBWOWAHHWNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-35-27(33)16-10-11-21-22(13-29-24(21)12-16)26(32)25(31)14-30-28(34)36-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,23,25-26,29,31-32H,14-15H2,1H3,(H,30,34).
What are the key properties of methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate?
methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate has a molecular weight of 486.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 170835557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).