2-(phosphorosomethylamino)acetic acid

C3H6NO3P — CID 20561473

IUPAC2-(phosphorosomethylamino)acetic acid
SMILESO=PCNCC(=O)O
InChIInChI=1S/C3H6NO3P/c5-3(6)1-4-2-8-7/h4H,1-2H2,(H,5,6)
InChIKeyTYWIRIPISWRUJH-UHFFFAOYSA-N
MW135.06 g/mol
LogP-0.09
Rot. Bonds4

About 2-(phosphorosomethylamino)acetic acid

2-(phosphorosomethylamino)acetic acid (PubChem CID 20561473) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is 2-(phosphorosomethylamino)acetic acid.

Molecular Properties

Compound Name2-(phosphorosomethylamino)acetic acid
PubChem CID20561473
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Name2-(phosphorosomethylamino)acetic acid
SMILESO=PCNCC(=O)O
InChIInChI=1S/C3H6NO3P/c5-3(6)1-4-2-8-7/h4H,1-2H2,(H,5,6)
InChIKeyTYWIRIPISWRUJH-UHFFFAOYSA-N
XLogP-0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyphosate
CID 3496
Sarcosine
CID 1088
CID 59310676
CID 59310676
Glyphosate-monoammonium
CID 11615303
Glyphosate potassium
CID 23716553
Glyphosate-diammonium
CID 44146828
Glyphosate(2-)
CID 25203640
Glyphosate(1-)
CID 24848186
Carboxymethyl(phosphonomethyl)azanium
CID 5288464
[(Carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium
CID 59121227
[2-(Phosphonomethylamino)acetyl]oxidanium
CID 59121230
N-(Phosphonomethyl)glycine--hydrogen chloride (1/1)
CID 23182961

Frequently Asked Questions

What is the IUPAC name of 2-(phosphorosomethylamino)acetic acid?
The IUPAC name of 2-(phosphorosomethylamino)acetic acid (CID 20561473) is 2-(phosphorosomethylamino)acetic acid.
What is the SMILES notation for 2-(phosphorosomethylamino)acetic acid?
The canonical SMILES for 2-(phosphorosomethylamino)acetic acid is O=PCNCC(=O)O.
What is the InChIKey of 2-(phosphorosomethylamino)acetic acid?
The InChIKey is TYWIRIPISWRUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c5-3(6)1-4-2-8-7/h4H,1-2H2,(H,5,6).
What are the key properties of 2-(phosphorosomethylamino)acetic acid?
2-(phosphorosomethylamino)acetic acid has a molecular weight of 135.06 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphorosomethylamino)acetic acid is sourced from PubChem (CID 20561473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).