3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid

C9H17N3O4 — CID 7020006

IUPAC3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid
SMILESNCCC(=O)NCCC(=O)NCCC(=O)O
InChIInChI=1S/C9H17N3O4/c10-4-1-7(13)11-5-2-8(14)12-6-3-9(15)16/h1-6,10H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyINWKFTXYTDPZIX-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.57
Rot. Bonds8

About 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid

3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid (PubChem CID 7020006) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid
PubChem CID7020006
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid
SMILESNCCC(=O)NCCC(=O)NCCC(=O)O
InChIInChI=1S/C9H17N3O4/c10-4-1-7(13)11-5-2-8(14)12-6-3-9(15)16/h1-6,10H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyINWKFTXYTDPZIX-UHFFFAOYSA-N
XLogP-1.57
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid (CID 7020006) is 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid is NCCC(=O)NCCC(=O)NCCC(=O)O.
What is the InChIKey of 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid?
The InChIKey is INWKFTXYTDPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c10-4-1-7(13)11-5-2-8(14)12-6-3-9(15)16/h1-6,10H2,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid?
3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 7020006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).