phosphono 2-(methylamino)acetate

C3H8NO5P — CID 54056266

IUPACphosphono 2-(methylamino)acetate
SMILESCNCC(=O)OP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c1-4-2-3(5)9-10(6,7)8/h4H,2H2,1H3,(H2,6,7,8)
InChIKeyLWMARUXCGMEYTJ-UHFFFAOYSA-N
MW169.07 g/mol
LogP-1.16
Rot. Bonds3

About phosphono 2-(methylamino)acetate

phosphono 2-(methylamino)acetate (PubChem CID 54056266) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is phosphono 2-(methylamino)acetate.

Molecular Properties

Compound Namephosphono 2-(methylamino)acetate
PubChem CID54056266
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Namephosphono 2-(methylamino)acetate
SMILESCNCC(=O)OP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c1-4-2-3(5)9-10(6,7)8/h4H,2H2,1H3,(H2,6,7,8)
InChIKeyLWMARUXCGMEYTJ-UHFFFAOYSA-N
XLogP-1.16
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxyethane;methyl 2-(methylamino)acetate
CID 161160255
azane;methyl 2-(methylamino)acetate
CID 87200278
phosphono 2-hydroxyacetate
CID 22320969
phosphono butanoate
CID 266
sulfanyl 2-(methylamino)acetate
CID 150047574
phosphono butanoate;phosphoric acid
CID 175184207
phosphono 6-acetamidohexanoate
CID 87087647
phosphono (3R)-3-aminobutanoate
CID 118530931
phosphono N-butylcarbamate
CID 154142807
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
bis[2-(methylamino)acetyl] (Z)-but-2-enedioate
CID 88841702
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820

Frequently Asked Questions

What is the IUPAC name of phosphono 2-(methylamino)acetate?
The IUPAC name of phosphono 2-(methylamino)acetate (CID 54056266) is phosphono 2-(methylamino)acetate.
What is the SMILES notation for phosphono 2-(methylamino)acetate?
The canonical SMILES for phosphono 2-(methylamino)acetate is CNCC(=O)OP(=O)(O)O.
What is the InChIKey of phosphono 2-(methylamino)acetate?
The InChIKey is LWMARUXCGMEYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c1-4-2-3(5)9-10(6,7)8/h4H,2H2,1H3,(H2,6,7,8).
What are the key properties of phosphono 2-(methylamino)acetate?
phosphono 2-(methylamino)acetate has a molecular weight of 169.07 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 2-(methylamino)acetate is sourced from PubChem (CID 54056266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).