sodium;2-aminoacetate;methanol

C4H12NNaO4 — CID 175901893

IUPACsodium;2-aminoacetate;methanol
SMILESCO.CO.NCC(=O)[O-].[Na+]
InChIInChI=1S/C2H5NO2.2CH4O.Na/c3-1-2(4)5;2*1-2;/h1,3H2,(H,4,5);2*2H,1H3;/q;;;+1/p-1
InChIKeyPJTLVUUNDPPMKQ-UHFFFAOYSA-M
MW161.13 g/mol
LogP-6.08
Rot. Bonds1

About sodium;2-aminoacetate;methanol

sodium;2-aminoacetate;methanol (PubChem CID 175901893) has the molecular formula C4H12NNaO4 and a molecular weight of 161.13 g/mol. Its IUPAC name is sodium;2-aminoacetate;methanol.

Molecular Properties

Compound Namesodium;2-aminoacetate;methanol
PubChem CID175901893
Molecular FormulaC4H12NNaO4
Molecular Weight161.13 g/mol
Exact Mass161.07
IUPAC Namesodium;2-aminoacetate;methanol
SMILESCO.CO.NCC(=O)[O-].[Na+]
InChIInChI=1S/C2H5NO2.2CH4O.Na/c3-1-2(4)5;2*1-2;/h1,3H2,(H,4,5);2*2H,1H3;/q;;;+1/p-1
InChIKeyPJTLVUUNDPPMKQ-UHFFFAOYSA-M
XLogP-6.08
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 5-6.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
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2-aminoacetate;ethylazanium
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Frequently Asked Questions

What is the IUPAC name of sodium;2-aminoacetate;methanol?
The IUPAC name of sodium;2-aminoacetate;methanol (CID 175901893) is sodium;2-aminoacetate;methanol.
What is the SMILES notation for sodium;2-aminoacetate;methanol?
The canonical SMILES for sodium;2-aminoacetate;methanol is CO.CO.NCC(=O)[O-].[Na+].
What is the InChIKey of sodium;2-aminoacetate;methanol?
The InChIKey is PJTLVUUNDPPMKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO2.2CH4O.Na/c3-1-2(4)5;2*1-2;/h1,3H2,(H,4,5);2*2H,1H3;/q;;;+1/p-1.
What are the key properties of sodium;2-aminoacetate;methanol?
sodium;2-aminoacetate;methanol has a molecular weight of 161.13 g/mol, XLogP of -6.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-aminoacetate;methanol is sourced from PubChem (CID 175901893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).