sodium 3-(2-aminoethylamino)propanoate

C5H11N2NaO2 — CID 23711569

IUPACsodium 3-(2-aminoethylamino)propanoate
SMILESNCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C5H12N2O2.Na/c6-2-4-7-3-1-5(8)9;/h7H,1-4,6H2,(H,8,9);/q;+1/p-1
InChIKeyGRRYHLMTCTVDNC-UHFFFAOYSA-M
MW154.14 g/mol
LogP-5.32
Rot. Bonds5

About sodium 3-(2-aminoethylamino)propanoate

sodium 3-(2-aminoethylamino)propanoate (PubChem CID 23711569) has the molecular formula C5H11N2NaO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is sodium 3-(2-aminoethylamino)propanoate.

Molecular Properties

Compound Namesodium 3-(2-aminoethylamino)propanoate
PubChem CID23711569
Molecular FormulaC5H11N2NaO2
Molecular Weight154.14 g/mol
Exact Mass154.07
IUPAC Namesodium 3-(2-aminoethylamino)propanoate
SMILESNCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C5H12N2O2.Na/c6-2-4-7-3-1-5(8)9;/h7H,1-4,6H2,(H,8,9);/q;+1/p-1
InChIKeyGRRYHLMTCTVDNC-UHFFFAOYSA-M
XLogP-5.32
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 5-5.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 sodium 3-(2-aminoethylamino)propanoate?
The IUPAC name of sodium 3-(2-aminoethylamino)propanoate (CID 23711569) is sodium 3-(2-aminoethylamino)propanoate.
What is the SMILES notation for sodium 3-(2-aminoethylamino)propanoate?
The canonical SMILES for sodium 3-(2-aminoethylamino)propanoate is NCCNCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(2-aminoethylamino)propanoate?
The InChIKey is GRRYHLMTCTVDNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N2O2.Na/c6-2-4-7-3-1-5(8)9;/h7H,1-4,6H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 3-(2-aminoethylamino)propanoate?
sodium 3-(2-aminoethylamino)propanoate has a molecular weight of 154.14 g/mol, XLogP of -5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(2-aminoethylamino)propanoate is sourced from PubChem (CID 23711569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).