sodium 3-(prop-2-enylamino)propanoate

C6H10NNaO2 — CID 87074000

IUPACsodium 3-(prop-2-enylamino)propanoate
SMILESC=CCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C6H11NO2.Na/c1-2-4-7-5-3-6(8)9;/h2,7H,1,3-5H2,(H,8,9);/q;+1/p-1
InChIKeyHDOMEEFKGCXHRM-UHFFFAOYSA-M
MW151.14 g/mol
LogP-4.09
Rot. Bonds5

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

sodium 3-(prop-2-enylamino)propanoate (PubChem CID 87074000) has the molecular formula C6H10NNaO2 and a molecular weight of 151.14 g/mol. Its IUPAC name is sodium 3-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Namesodium 3-(prop-2-enylamino)propanoate
PubChem CID87074000
Molecular FormulaC6H10NNaO2
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Namesodium 3-(prop-2-enylamino)propanoate
SMILESC=CCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C6H11NO2.Na/c1-2-4-7-5-3-6(8)9;/h2,7H,1,3-5H2,(H,8,9);/q;+1/p-1
InChIKeyHDOMEEFKGCXHRM-UHFFFAOYSA-M
XLogP-4.09
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-4.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 3-(prop-2-enylamino)propanoate?
The IUPAC name of sodium 3-(prop-2-enylamino)propanoate (CID 87074000) is sodium 3-(prop-2-enylamino)propanoate.
What is the SMILES notation for sodium 3-(prop-2-enylamino)propanoate?
The canonical SMILES for sodium 3-(prop-2-enylamino)propanoate is C=CCNCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(prop-2-enylamino)propanoate?
The InChIKey is HDOMEEFKGCXHRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO2.Na/c1-2-4-7-5-3-6(8)9;/h2,7H,1,3-5H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 3-(prop-2-enylamino)propanoate?
sodium 3-(prop-2-enylamino)propanoate has a molecular weight of 151.14 g/mol, XLogP of -4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(prop-2-enylamino)propanoate is sourced from PubChem (CID 87074000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).