3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide

C12H13N3O3 — CID 22669256

IUPAC3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide
SMILESNC(=O)CCc1cn(C(N)=O)c2ccc(O)cc12
InChIInChI=1S/C12H13N3O3/c13-11(17)4-1-7-6-15(12(14)18)10-3-2-8(16)5-9(7)10/h2-3,5-6,16H,1,4H2,(H2,13,17)(H2,14,18)
InChIKeyCUAVQEIJZJQYIT-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.69
Rot. Bonds3

About 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide

3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide (PubChem CID 22669256) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide.

Molecular Properties

Compound Name3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide
PubChem CID22669256
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide
SMILESNC(=O)CCc1cn(C(N)=O)c2ccc(O)cc12
InChIInChI=1S/C12H13N3O3/c13-11(17)4-1-7-6-15(12(14)18)10-3-2-8(16)5-9(7)10/h2-3,5-6,16H,1,4H2,(H2,13,17)(H2,14,18)
InChIKeyCUAVQEIJZJQYIT-UHFFFAOYSA-N
XLogP0.69
TPSA111.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide?
The IUPAC name of 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide (CID 22669256) is 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide.
What is the SMILES notation for 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide?
The canonical SMILES for 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide is NC(=O)CCc1cn(C(N)=O)c2ccc(O)cc12.
What is the InChIKey of 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide?
The InChIKey is CUAVQEIJZJQYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c13-11(17)4-1-7-6-15(12(14)18)10-3-2-8(16)5-9(7)10/h2-3,5-6,16H,1,4H2,(H2,13,17)(H2,14,18).
What are the key properties of 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide?
3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-oxopropyl)-5-hydroxyindole-1-carboxamide is sourced from PubChem (CID 22669256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).