9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid

C17H16N2O2 — CID 59626416

IUPAC9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n([C@H]3CCNC3)c2c1
InChIInChI=1S/C17H16N2O2/c20-17(21)11-5-6-14-13-3-1-2-4-15(13)19(16(14)9-11)12-7-8-18-10-12/h1-6,9,12,18H,7-8,10H2,(H,20,21)/t12-/m0/s1
InChIKeyXLNDFDDQZSPWEE-LBPRGKRZSA-N
MW280.33 g/mol
LogP3.03
Rot. Bonds2

About 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid

9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid (PubChem CID 59626416) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid.

Molecular Properties

Compound Name9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid
PubChem CID59626416
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n([C@H]3CCNC3)c2c1
InChIInChI=1S/C17H16N2O2/c20-17(21)11-5-6-14-13-3-1-2-4-15(13)19(16(14)9-11)12-7-8-18-10-12/h1-6,9,12,18H,7-8,10H2,(H,20,21)/t12-/m0/s1
InChIKeyXLNDFDDQZSPWEE-LBPRGKRZSA-N
XLogP3.03
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-hydroxycyclohexyl)carbazole-2-carboxylic acid
CID 24992779
9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid
CID 59626371
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
CID 84638551
N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide
CID 59626510
methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate
CID 59626440
N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
CID 68779907
methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
CID 59626191
1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
(3S,4S)-4-carbazol-9-ylpiperidin-3-ol
CID 76902154
1-piperidin-4-ylindole-6-carboxylic acid
CID 59439473
2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone
CID 70955532
N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
CID 143732928

Frequently Asked Questions

What is the IUPAC name of 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid?
The IUPAC name of 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid (CID 59626416) is 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid.
What is the SMILES notation for 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid?
The canonical SMILES for 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid is O=C(O)c1ccc2c3ccccc3n([C@H]3CCNC3)c2c1.
What is the InChIKey of 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid?
The InChIKey is XLNDFDDQZSPWEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17(21)11-5-6-14-13-3-1-2-4-15(13)19(16(14)9-11)12-7-8-18-10-12/h1-6,9,12,18H,7-8,10H2,(H,20,21)/t12-/m0/s1.
What are the key properties of 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid?
9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid is sourced from PubChem (CID 59626416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).