3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid

C16H19N3O3 — CID 18218238

IUPAC3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1
InChIInChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22)
InChIKeyUEKYKRQIAQHOOZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.03
Rot. Bonds5

About 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid

3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid (PubChem CID 18218238) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid
PubChem CID18218238
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1
InChIInChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22)
InChIKeyUEKYKRQIAQHOOZ-UHFFFAOYSA-N
XLogP1.03
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid (CID 18218238) is 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid is O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The InChIKey is UEKYKRQIAQHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(13-6-3-7-17-13)19-14(16(21)22)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17-18H,3,6-8H2,(H,19,20)(H,21,22).
What are the key properties of 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid?
3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 18218238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).