(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

C23H23NO5 — CID 167724986

IUPAC(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H](C1)O2
InChIInChI=1S/C23H23NO5/c25-22(26)14-9-15-11-24(12-16(10-14)29-15)23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,14-16,21H,9-13H2,(H,25,26)/t14?,15-,16+
InChIKeyZVDNJDGHFAPLMF-MQVJKMGUSA-N
MW393.44 g/mol
LogP3.50
Rot. Bonds3

About (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid (PubChem CID 167724986) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
PubChem CID167724986
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H](C1)O2
InChIInChI=1S/C23H23NO5/c25-22(26)14-9-15-11-24(12-16(10-14)29-15)23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,14-16,21H,9-13H2,(H,25,26)/t14?,15-,16+
InChIKeyZVDNJDGHFAPLMF-MQVJKMGUSA-N
XLogP3.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 10091218
trans-(1R,2S)-2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 146081972
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
(2R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
CID 166000842
(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 75525905
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 178195231
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 71311541

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The IUPAC name of (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid (CID 167724986) is (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid.
What is the SMILES notation for (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The canonical SMILES for (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid is O=C(O)C1C[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H](C1)O2.
What is the InChIKey of (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The InChIKey is ZVDNJDGHFAPLMF-MQVJKMGUSA-N. The full InChI is InChI=1S/C23H23NO5/c25-22(26)14-9-15-11-24(12-16(10-14)29-15)23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,14-16,21H,9-13H2,(H,25,26)/t14?,15-,16+.
What are the key properties of (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid has a molecular weight of 393.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid is sourced from PubChem (CID 167724986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).