3-(2-aminoethylamino)propanoic acid;dihydrochloride

C5H14Cl2N2O2 — CID 71756626

IUPAC3-(2-aminoethylamino)propanoic acid;dihydrochloride
SMILESCl.Cl.NCCNCCC(=O)O
InChIInChI=1S/C5H12N2O2.2ClH/c6-2-4-7-3-1-5(8)9;;/h7H,1-4,6H2,(H,8,9);2*1H
InChIKeyYRIGUBBGDPFIHR-UHFFFAOYSA-N
MW205.08 g/mol
LogP-0.15
Rot. Bonds5

About 3-(2-aminoethylamino)propanoic acid;dihydrochloride

3-(2-aminoethylamino)propanoic acid;dihydrochloride (PubChem CID 71756626) has the molecular formula C5H14Cl2N2O2 and a molecular weight of 205.08 g/mol. Its IUPAC name is 3-(2-aminoethylamino)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminoethylamino)propanoic acid;dihydrochloride
PubChem CID71756626
Molecular FormulaC5H14Cl2N2O2
Molecular Weight205.08 g/mol
Exact Mass204.04
IUPAC Name3-(2-aminoethylamino)propanoic acid;dihydrochloride
SMILESCl.Cl.NCCNCCC(=O)O
InChIInChI=1S/C5H12N2O2.2ClH/c6-2-4-7-3-1-5(8)9;;/h7H,1-4,6H2,(H,8,9);2*1H
InChIKeyYRIGUBBGDPFIHR-UHFFFAOYSA-N
XLogP-0.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)propanoic acid;dihydrochloride?
The IUPAC name of 3-(2-aminoethylamino)propanoic acid;dihydrochloride (CID 71756626) is 3-(2-aminoethylamino)propanoic acid;dihydrochloride.
What is the SMILES notation for 3-(2-aminoethylamino)propanoic acid;dihydrochloride?
The canonical SMILES for 3-(2-aminoethylamino)propanoic acid;dihydrochloride is Cl.Cl.NCCNCCC(=O)O.
What is the InChIKey of 3-(2-aminoethylamino)propanoic acid;dihydrochloride?
The InChIKey is YRIGUBBGDPFIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.2ClH/c6-2-4-7-3-1-5(8)9;;/h7H,1-4,6H2,(H,8,9);2*1H.
What are the key properties of 3-(2-aminoethylamino)propanoic acid;dihydrochloride?
3-(2-aminoethylamino)propanoic acid;dihydrochloride has a molecular weight of 205.08 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)propanoic acid;dihydrochloride is sourced from PubChem (CID 71756626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).