sodium 2-amino-3-hydroxypropanoate

C3H6NNaO3 — CID 23676048

IUPACsodium 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)[O-].[Na+]
InChIInChI=1S/C3H7NO3.Na/c4-2(1-5)3(6)7;/h2,5H,1,4H2,(H,6,7);/q;+1/p-1
InChIKeySOKFOILSVPHVCU-UHFFFAOYSA-M
MW127.08 g/mol
LogP-5.94
Rot. Bonds2

About sodium 2-amino-3-hydroxypropanoate

sodium 2-amino-3-hydroxypropanoate (PubChem CID 23676048) has the molecular formula C3H6NNaO3 and a molecular weight of 127.08 g/mol. Its IUPAC name is sodium 2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Namesodium 2-amino-3-hydroxypropanoate
PubChem CID23676048
Molecular FormulaC3H6NNaO3
Molecular Weight127.08 g/mol
Exact Mass127.02
IUPAC Namesodium 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)[O-].[Na+]
InChIInChI=1S/C3H7NO3.Na/c4-2(1-5)3(6)7;/h2,5H,1,4H2,(H,6,7);/q;+1/p-1
InChIKeySOKFOILSVPHVCU-UHFFFAOYSA-M
XLogP-5.94
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.08
LogP ≤ 5-5.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-3-hydroxypropanoate?
The IUPAC name of sodium 2-amino-3-hydroxypropanoate (CID 23676048) is sodium 2-amino-3-hydroxypropanoate.
What is the SMILES notation for sodium 2-amino-3-hydroxypropanoate?
The canonical SMILES for sodium 2-amino-3-hydroxypropanoate is NC(CO)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-amino-3-hydroxypropanoate?
The InChIKey is SOKFOILSVPHVCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3.Na/c4-2(1-5)3(6)7;/h2,5H,1,4H2,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2-amino-3-hydroxypropanoate?
sodium 2-amino-3-hydroxypropanoate has a molecular weight of 127.08 g/mol, XLogP of -5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-3-hydroxypropanoate is sourced from PubChem (CID 23676048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).