5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid

C13H14N2O2 — CID 117332582

IUPAC5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C13H14N2O2/c16-13(17)10-6-12(15-7-10)9-2-1-8-3-4-14-11(8)5-9/h1-5,10,12,14-15H,6-7H2,(H,16,17)
InChIKeyRVUNFVZEBWZNOF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.90
Rot. Bonds2

About 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid

5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117332582) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID117332582
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C13H14N2O2/c16-13(17)10-6-12(15-7-10)9-2-1-8-3-4-14-11(8)5-9/h1-5,10,12,14-15H,6-7H2,(H,16,17)
InChIKeyRVUNFVZEBWZNOF-UHFFFAOYSA-N
XLogP1.90
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869
5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
CID 117480696
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706
5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
CID 117365462
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736
5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117367740
5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117396333
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid (CID 117332582) is 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RVUNFVZEBWZNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)10-6-12(15-7-10)9-2-1-8-3-4-14-11(8)5-9/h1-5,10,12,14-15H,6-7H2,(H,16,17).
What are the key properties of 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117332582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).