1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid

C23H19N3O3 — CID 6235718

IUPAC1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C23H19N3O3/c27-22(26-12-6-11-19(26)23(28)29)18-13-16-15-9-4-5-10-17(15)24-21(16)20(25-18)14-7-2-1-3-8-14/h1-5,7-10,13,19,24H,6,11-12H2,(H,28,29)
InChIKeyFWQCTXBWEJGNJF-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.07
Rot. Bonds3

About 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 6235718) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID6235718
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
InChIInChI=1S/C23H19N3O3/c27-22(26-12-6-11-19(26)23(28)29)18-13-16-15-9-4-5-10-17(15)24-21(16)20(25-18)14-7-2-1-3-8-14/h1-5,7-10,13,19,24H,6,11-12H2,(H,28,29)
InChIKeyFWQCTXBWEJGNJF-UHFFFAOYSA-N
XLogP4.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 170715996
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922406
1-[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]piperidine-4-carboxylic acid
CID 6217142
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217181
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
(2S)-1-(1-chloro-4-hydroxyisoquinoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 87120306
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365014

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 6235718) is 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1.
What is the InChIKey of 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FWQCTXBWEJGNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(26-12-6-11-19(26)23(28)29)18-13-16-15-9-4-5-10-17(15)24-21(16)20(25-18)14-7-2-1-3-8-14/h1-5,7-10,13,19,24H,6,11-12H2,(H,28,29).
What are the key properties of 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6235718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).