(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid

C22H21NO5 — CID 155820155

IUPAC(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2OCC[C@]2(C(=O)O)C1
InChIInChI=1S/C22H21NO5/c24-20(25)22-9-10-27-19(22)11-23(13-22)21(26)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)/t19-,22-/m0/s1
InChIKeyMHOKOJDAEUJCAL-UGKGYDQZSA-N
MW379.41 g/mol
LogP3.11
Rot. Bonds3

About (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid

(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid (PubChem CID 155820155) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
PubChem CID155820155
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2OCC[C@]2(C(=O)O)C1
InChIInChI=1S/C22H21NO5/c24-20(25)22-9-10-27-19(22)11-23(13-22)21(26)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)/t19-,22-/m0/s1
InChIKeyMHOKOJDAEUJCAL-UGKGYDQZSA-N
XLogP3.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid with MolForge

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Related Compounds

4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
CID 118798351
3-(9H-fluoren-9-ylmethoxycarbonyl)-5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
CID 167722618
9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
CID 130560080
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid
CID 121493858
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
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
CID 154814384
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid (CID 155820155) is (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid is O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2OCC[C@]2(C(=O)O)C1.
What is the InChIKey of (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid?
The InChIKey is MHOKOJDAEUJCAL-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H21NO5/c24-20(25)22-9-10-27-19(22)11-23(13-22)21(26)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)/t19-,22-/m0/s1.
What are the key properties of (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid?
(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid has a molecular weight of 379.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 155820155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).