9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate

C28H27NO5 — CID 101238860

IUPAC9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2CO[C@H](O2)[C@@H]1COCc1ccccc1
InChIInChI=1S/C28H27NO5/c30-28(33-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25)29-14-20-16-32-27(34-20)26(29)18-31-15-19-8-2-1-3-9-19/h1-13,20,25-27H,14-18H2/t20-,26-,27+/m0/s1
InChIKeyBXNSTCZHSUHBBG-SQMFLSJESA-N
MW457.53 g/mol
LogP4.58
Rot. Bonds6

About 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate

9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 101238860) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID101238860
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2CO[C@H](O2)[C@@H]1COCc1ccccc1
InChIInChI=1S/C28H27NO5/c30-28(33-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25)29-14-20-16-32-27(34-20)26(29)18-31-15-19-8-2-1-3-9-19/h1-13,20,25-27H,14-18H2/t20-,26-,27+/m0/s1
InChIKeyBXNSTCZHSUHBBG-SQMFLSJESA-N
XLogP4.58
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 102109507
(1S,4R,5S,7R)-4-benzyl-3-(9H-fluoren-9-ylmethoxycarbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 10344692
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 19767634
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 45073932
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
CID 165452018
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
CID 154814384
(2S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylmethoxypiperidine-2-carboxylic acid
CID 15521347
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
benzyl (2R,3R,4R,5S,6R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)azepane-1-carboxylate
CID 11721325
9H-fluoren-9-ylmethyl 3-hydroxy-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67049085
2-[(2R,5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylmorpholin-2-yl]acetic acid
CID 170914115
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate (CID 101238860) is 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2CO[C@H](O2)[C@@H]1COCc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is BXNSTCZHSUHBBG-SQMFLSJESA-N. The full InChI is InChI=1S/C28H27NO5/c30-28(33-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25)29-14-20-16-32-27(34-20)26(29)18-31-15-19-8-2-1-3-9-19/h1-13,20,25-27H,14-18H2/t20-,26-,27+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (1S,4S,5R)-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 101238860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).