3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid

C15H19N3O2 — CID 56710153

IUPAC3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCn1c(CN2CCC(N)(C(=O)O)C2)cc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-17-12(8-11-4-2-3-5-13(11)17)9-18-7-6-15(16,10-18)14(19)20/h2-5,8H,6-7,9-10,16H2,1H3,(H,19,20)
InChIKeyQBZKCFFNHAIHLU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds3

About 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 56710153) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID56710153
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCn1c(CN2CCC(N)(C(=O)O)C2)cc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-17-12(8-11-4-2-3-5-13(11)17)9-18-7-6-15(16,10-18)14(19)20/h2-5,8H,6-7,9-10,16H2,1H3,(H,19,20)
InChIKeyQBZKCFFNHAIHLU-UHFFFAOYSA-N
XLogP1.17
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
CID 142781838
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70760784
4-(hydroxymethyl)-1-[(1-methylindol-2-yl)methyl]azepan-4-ol
CID 74236763
3-amino-1-[(2-hydroxynaphthalen-1-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107321075
3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719056
3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324856
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
3-amino-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321335
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid (CID 56710153) is 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid is Cn1c(CN2CCC(N)(C(=O)O)C2)cc2ccccc21.
What is the InChIKey of 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QBZKCFFNHAIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-12(8-11-4-2-3-5-13(11)17)9-18-7-6-15(16,10-18)14(19)20/h2-5,8H,6-7,9-10,16H2,1H3,(H,19,20).
What are the key properties of 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylindol-2-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 56710153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).