3-[bis(3-aminopropyl)amino]propanoic acid

C9H21N3O2 — CID 57029335

IUPAC3-[bis(3-aminopropyl)amino]propanoic acid
SMILESNCCCN(CCCN)CCC(=O)O
InChIInChI=1S/C9H21N3O2/c10-4-1-6-12(7-2-5-11)8-3-9(13)14/h1-8,10-11H2,(H,13,14)
InChIKeyKOFMPLVZLXBEHF-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.54
Rot. Bonds9

About 3-[bis(3-aminopropyl)amino]propanoic acid

3-[bis(3-aminopropyl)amino]propanoic acid (PubChem CID 57029335) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[bis(3-aminopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[bis(3-aminopropyl)amino]propanoic acid
PubChem CID57029335
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[bis(3-aminopropyl)amino]propanoic acid
SMILESNCCCN(CCCN)CCC(=O)O
InChIInChI=1S/C9H21N3O2/c10-4-1-6-12(7-2-5-11)8-3-9(13)14/h1-8,10-11H2,(H,13,14)
InChIKeyKOFMPLVZLXBEHF-UHFFFAOYSA-N
XLogP-0.54
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-aminopropyl)amino]propanoic acid?
The IUPAC name of 3-[bis(3-aminopropyl)amino]propanoic acid (CID 57029335) is 3-[bis(3-aminopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[bis(3-aminopropyl)amino]propanoic acid?
The canonical SMILES for 3-[bis(3-aminopropyl)amino]propanoic acid is NCCCN(CCCN)CCC(=O)O.
What is the InChIKey of 3-[bis(3-aminopropyl)amino]propanoic acid?
The InChIKey is KOFMPLVZLXBEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c10-4-1-6-12(7-2-5-11)8-3-9(13)14/h1-8,10-11H2,(H,13,14).
What are the key properties of 3-[bis(3-aminopropyl)amino]propanoic acid?
3-[bis(3-aminopropyl)amino]propanoic acid has a molecular weight of 203.29 g/mol, XLogP of -0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-aminopropyl)amino]propanoic acid is sourced from PubChem (CID 57029335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).