3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid

C23H23NO5 — CID 167722618

IUPAC3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC2(CO)CC(C(=O)O)(C1)C2
InChIInChI=1S/C23H23NO5/c25-14-22-10-23(11-22,20(26)27)13-24(12-22)21(28)29-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19,25H,9-14H2,(H,26,27)
InChIKeyDLMNVVCUUMOVBA-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.09
Rot. Bonds4

About 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid

3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid (PubChem CID 167722618) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
PubChem CID167722618
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC2(CO)CC(C(=O)O)(C1)C2
InChIInChI=1S/C23H23NO5/c25-14-22-10-23(11-22,20(26)27)13-24(12-22)21(28)29-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19,25H,9-14H2,(H,26,27)
InChIKeyDLMNVVCUUMOVBA-UHFFFAOYSA-N
XLogP3.09
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid with MolForge

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Related Compounds

1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
CID 154814384
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 3-hydroxy-3-(methoxymethyl)azetidine-1-carboxylate
CID 130962442
9H-fluoren-9-ylmethyl (1S,5S,7R)-7-(hydroxymethyl)-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 101251779
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
CID 167737559
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid (CID 167722618) is 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid is O=C(OCC1c2ccccc2-c2ccccc21)N1CC2(CO)CC(C(=O)O)(C1)C2.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid?
The InChIKey is DLMNVVCUUMOVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c25-14-22-10-23(11-22,20(26)27)13-24(12-22)21(28)29-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19,25H,9-14H2,(H,26,27).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid?
3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid has a molecular weight of 393.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid is sourced from PubChem (CID 167722618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).