3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid

C14H15N3O3 — CID 107323154

IUPAC3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C14H15N3O3/c15-14(13(19)20)5-7-17(8-14)12(18)10-3-1-2-9-4-6-16-11(9)10/h1-4,6,16H,5,7-8,15H2,(H,19,20)
InChIKeyFJTMJGZPFSGQNN-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.80
Rot. Bonds2

About 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323154) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323154
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C14H15N3O3/c15-14(13(19)20)5-7-17(8-14)12(18)10-3-1-2-9-4-6-16-11(9)10/h1-4,6,16H,5,7-8,15H2,(H,19,20)
InChIKeyFJTMJGZPFSGQNN-UHFFFAOYSA-N
XLogP0.80
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid (CID 107323154) is 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)c2cccc3cc[nH]c23)C1.
What is the InChIKey of 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FJTMJGZPFSGQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-14(13(19)20)5-7-17(8-14)12(18)10-3-1-2-9-4-6-16-11(9)10/h1-4,6,16H,5,7-8,15H2,(H,19,20).
What are the key properties of 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).