5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid

C17H20N2O2 — CID 117457954

IUPAC5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3[nH]c4c(c3c2)CCCC4)C1
InChIInChI=1S/C17H20N2O2/c20-17(21)11-8-16(18-9-11)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h5-7,11,16,18-19H,1-4,8-9H2,(H,20,21)
InChIKeyAALBLPGWYNSWKY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.78
Rot. Bonds2

About 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid

5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117457954) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID117457954
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3[nH]c4c(c3c2)CCCC4)C1
InChIInChI=1S/C17H20N2O2/c20-17(21)11-8-16(18-9-11)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h5-7,11,16,18-19H,1-4,8-9H2,(H,20,21)
InChIKeyAALBLPGWYNSWKY-UHFFFAOYSA-N
XLogP2.78
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869
7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 117353822
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
CID 117480696
6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 116996596
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117376080
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidine-3-carboxylic acid
CID 117451512
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736

Frequently Asked Questions

What is the IUPAC name of 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid (CID 117457954) is 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc3[nH]c4c(c3c2)CCCC4)C1.
What is the InChIKey of 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is AALBLPGWYNSWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(21)11-8-16(18-9-11)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h5-7,11,16,18-19H,1-4,8-9H2,(H,20,21).
What are the key properties of 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid?
5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117457954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).