5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid

C21H17N3O4 — CID 167737812

IUPAC5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c([nH]1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C21H17N3O4/c25-20(26)19-22-17-9-24(10-18(17)23-19)21(27)28-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,22,23)(H,25,26)
InChIKeyLJZOCPVFANNSPO-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.37
Rot. Bonds3

About 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid

5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid (PubChem CID 167737812) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
PubChem CID167737812
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c([nH]1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C21H17N3O4/c25-20(26)19-22-17-9-24(10-18(17)23-19)21(27)28-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,22,23)(H,25,26)
InChIKeyLJZOCPVFANNSPO-UHFFFAOYSA-N
XLogP3.37
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid
CID 165478045
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
(2R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
CID 166000842
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
The IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid (CID 167737812) is 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
The canonical SMILES for 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid is O=C(O)c1nc2c([nH]1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2.
What is the InChIKey of 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
The InChIKey is LJZOCPVFANNSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-20(26)19-22-17-9-24(10-18(17)23-19)21(27)28-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,22,23)(H,25,26).
What are the key properties of 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 167737812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).