sodium 3-(prop-2-enoylamino)propanoate

C6H8NNaO3 — CID 71756743

IUPACsodium 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)[O-].[Na+]
InChIInChI=1S/C6H9NO3.Na/c1-2-5(8)7-4-3-6(9)10;/h2H,1,3-4H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyJRFMKYAZGIDTNZ-UHFFFAOYSA-M
MW165.12 g/mol
LogP-4.57
Rot. Bonds4

About sodium 3-(prop-2-enoylamino)propanoate

sodium 3-(prop-2-enoylamino)propanoate (PubChem CID 71756743) has the molecular formula C6H8NNaO3 and a molecular weight of 165.12 g/mol. Its IUPAC name is sodium 3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namesodium 3-(prop-2-enoylamino)propanoate
PubChem CID71756743
Molecular FormulaC6H8NNaO3
Molecular Weight165.12 g/mol
Exact Mass165.04
IUPAC Namesodium 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)[O-].[Na+]
InChIInChI=1S/C6H9NO3.Na/c1-2-5(8)7-4-3-6(9)10;/h2H,1,3-4H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyJRFMKYAZGIDTNZ-UHFFFAOYSA-M
XLogP-4.57
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 5-4.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 3-(prop-2-enoylamino)propanoate?
The IUPAC name of sodium 3-(prop-2-enoylamino)propanoate (CID 71756743) is sodium 3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for sodium 3-(prop-2-enoylamino)propanoate?
The canonical SMILES for sodium 3-(prop-2-enoylamino)propanoate is C=CC(=O)NCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(prop-2-enoylamino)propanoate?
The InChIKey is JRFMKYAZGIDTNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO3.Na/c1-2-5(8)7-4-3-6(9)10;/h2H,1,3-4H2,(H,7,8)(H,9,10);/q;+1/p-1.
What are the key properties of sodium 3-(prop-2-enoylamino)propanoate?
sodium 3-(prop-2-enoylamino)propanoate has a molecular weight of 165.12 g/mol, XLogP of -4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 71756743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).