methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

C24H23FN2O6 — CID 169198609

IUPACmethyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)CNC(=O)c1ccc3c(c1)-c1ccccc1C3F)OCCO2
InChIInChI=1S/C24H23FN2O6/c1-31-23(30)19-11-24(32-8-9-33-24)13-27(19)20(28)12-26-22(29)14-6-7-17-18(10-14)15-4-2-3-5-16(15)21(17)25/h2-7,10,19,21H,8-9,11-13H2,1H3,(H,26,29)/t19-,21?/m0/s1
InChIKeyVSOCJSLQWCFOAX-ZQRQZVKFSA-N
MW454.45 g/mol
LogP1.97
Rot. Bonds4

About methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (PubChem CID 169198609) has the molecular formula C24H23FN2O6 and a molecular weight of 454.45 g/mol. Its IUPAC name is methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Namemethyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
PubChem CID169198609
Molecular FormulaC24H23FN2O6
Molecular Weight454.45 g/mol
Exact Mass454.15
IUPAC Namemethyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)CNC(=O)c1ccc3c(c1)-c1ccccc1C3F)OCCO2
InChIInChI=1S/C24H23FN2O6/c1-31-23(30)19-11-24(32-8-9-33-24)13-27(19)20(28)12-26-22(29)14-6-7-17-18(10-14)15-4-2-3-5-16(15)21(17)25/h2-7,10,19,21H,8-9,11-13H2,1H3,(H,26,29)/t19-,21?/m0/s1
InChIKeyVSOCJSLQWCFOAX-ZQRQZVKFSA-N
XLogP1.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (CID 169198609) is methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is COC(=O)[C@@H]1CC2(CN1C(=O)CNC(=O)c1ccc3c(c1)-c1ccccc1C3F)OCCO2.
What is the InChIKey of methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The InChIKey is VSOCJSLQWCFOAX-ZQRQZVKFSA-N. The full InChI is InChI=1S/C24H23FN2O6/c1-31-23(30)19-11-24(32-8-9-33-24)13-27(19)20(28)12-26-22(29)14-6-7-17-18(10-14)15-4-2-3-5-16(15)21(17)25/h2-7,10,19,21H,8-9,11-13H2,1H3,(H,26,29)/t19-,21?/m0/s1.
What are the key properties of methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate has a molecular weight of 454.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8S)-7-[2-[(9-fluoro-9H-fluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 169198609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).