5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid

C14H15ClN2O2 — CID 117447014

IUPAC5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc2cc(Cl)c(C3CC(C(=O)O)CN3)cc2[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-7-2-8-3-11(15)10(5-12(8)17-7)13-4-9(6-16-13)14(18)19/h2-3,5,9,13,16-17H,4,6H2,1H3,(H,18,19)
InChIKeyPZHDXOBKZBBNSR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.86
Rot. Bonds2

About 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid

5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117447014) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID117447014
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc2cc(Cl)c(C3CC(C(=O)O)CN3)cc2[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-7-2-8-3-11(15)10(5-12(8)17-7)13-4-9(6-16-13)14(18)19/h2-3,5,9,13,16-17H,4,6H2,1H3,(H,18,19)
InChIKeyPZHDXOBKZBBNSR-UHFFFAOYSA-N
XLogP2.86
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117438401
5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid
CID 117410023
5-(3-chloro-5-fluoro-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117397530
5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117392324
5-(2-hydroxy-4,5-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117342440
5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117456036
5-(2,5-dihydroxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117346419
5-(5-chloro-2,3-difluoro-4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 117445079
5-(5-chloro-2-hydroxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117427410
5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117416973
5-(5-carboxy-2,4-dihydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421187
5-(4,5-dimethyl-2-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117417962

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid (CID 117447014) is 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid is Cc1cc2cc(Cl)c(C3CC(C(=O)O)CN3)cc2[nH]1.
What is the InChIKey of 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is PZHDXOBKZBBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-7-2-8-3-11(15)10(5-12(8)17-7)13-4-9(6-16-13)14(18)19/h2-3,5,9,13,16-17H,4,6H2,1H3,(H,18,19).
What are the key properties of 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 278.74 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117447014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).