sodium 3-[amino(2-hydroxyethyl)amino]propanoate

C5H11N2NaO3 — CID 139704577

IUPACsodium 3-[amino(2-hydroxyethyl)amino]propanoate
SMILESNN(CCO)CCC(=O)[O-].[Na+]
InChIInChI=1S/C5H12N2O3.Na/c6-7(3-4-8)2-1-5(9)10;/h8H,1-4,6H2,(H,9,10);/q;+1/p-1
InChIKeyKVVFMTOQUCXRNY-UHFFFAOYSA-M
MW170.14 g/mol
LogP-5.70
Rot. Bonds5

About sodium 3-[amino(2-hydroxyethyl)amino]propanoate

sodium 3-[amino(2-hydroxyethyl)amino]propanoate (PubChem CID 139704577) has the molecular formula C5H11N2NaO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is sodium 3-[amino(2-hydroxyethyl)amino]propanoate.

Molecular Properties

Compound Namesodium 3-[amino(2-hydroxyethyl)amino]propanoate
PubChem CID139704577
Molecular FormulaC5H11N2NaO3
Molecular Weight170.14 g/mol
Exact Mass170.07
IUPAC Namesodium 3-[amino(2-hydroxyethyl)amino]propanoate
SMILESNN(CCO)CCC(=O)[O-].[Na+]
InChIInChI=1S/C5H12N2O3.Na/c6-7(3-4-8)2-1-5(9)10;/h8H,1-4,6H2,(H,9,10);/q;+1/p-1
InChIKeyKVVFMTOQUCXRNY-UHFFFAOYSA-M
XLogP-5.70
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-5.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 3-[amino(2-hydroxyethyl)amino]propanoate?
The IUPAC name of sodium 3-[amino(2-hydroxyethyl)amino]propanoate (CID 139704577) is sodium 3-[amino(2-hydroxyethyl)amino]propanoate.
What is the SMILES notation for sodium 3-[amino(2-hydroxyethyl)amino]propanoate?
The canonical SMILES for sodium 3-[amino(2-hydroxyethyl)amino]propanoate is NN(CCO)CCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-[amino(2-hydroxyethyl)amino]propanoate?
The InChIKey is KVVFMTOQUCXRNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N2O3.Na/c6-7(3-4-8)2-1-5(9)10;/h8H,1-4,6H2,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 3-[amino(2-hydroxyethyl)amino]propanoate?
sodium 3-[amino(2-hydroxyethyl)amino]propanoate has a molecular weight of 170.14 g/mol, XLogP of -5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[amino(2-hydroxyethyl)amino]propanoate is sourced from PubChem (CID 139704577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).