5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one

C13H17N3O2 — CID 115152987

IUPAC5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
SMILESNCCC(=O)N1C(=O)Cc2cc(CCN)ccc21
InChIInChI=1S/C13H17N3O2/c14-5-3-9-1-2-11-10(7-9)8-13(18)16(11)12(17)4-6-15/h1-2,7H,3-6,8,14-15H2
InChIKeyZMOLTCMBHXLAJV-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.05
Rot. Bonds4

About 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one

5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one (PubChem CID 115152987) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
PubChem CID115152987
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
SMILESNCCC(=O)N1C(=O)Cc2cc(CCN)ccc21
InChIInChI=1S/C13H17N3O2/c14-5-3-9-1-2-11-10(7-9)8-13(18)16(11)12(17)4-6-15/h1-2,7H,3-6,8,14-15H2
InChIKeyZMOLTCMBHXLAJV-UHFFFAOYSA-N
XLogP-0.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one (CID 115152987) is 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one is NCCC(=O)N1C(=O)Cc2cc(CCN)ccc21.
What is the InChIKey of 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one?
The InChIKey is ZMOLTCMBHXLAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-5-3-9-1-2-11-10(7-9)8-13(18)16(11)12(17)4-6-15/h1-2,7H,3-6,8,14-15H2.
What are the key properties of 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one?
5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one has a molecular weight of 247.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one is sourced from PubChem (CID 115152987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).