2-(phosphonomethylamino)acetic acid

C6H16N2O10P2 — CID 22495251

IUPAC2-(phosphonomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)(O)O.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/2C3H8NO5P/c2*5-3(6)1-4-2-10(7,8)9/h2*4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKeyWSSAMLJXFBGUJI-UHFFFAOYSA-N
MW338.15 g/mol
LogP-2.41
Rot. Bonds8

About 2-(phosphonomethylamino)acetic acid

2-(phosphonomethylamino)acetic acid (PubChem CID 22495251) has the molecular formula C6H16N2O10P2 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Name2-(phosphonomethylamino)acetic acid
PubChem CID22495251
Molecular FormulaC6H16N2O10P2
Molecular Weight338.15 g/mol
Exact Mass338.03
IUPAC Name2-(phosphonomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)(O)O.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/2C3H8NO5P/c2*5-3(6)1-4-2-10(7,8)9/h2*4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKeyWSSAMLJXFBGUJI-UHFFFAOYSA-N
XLogP-2.41
TPSA213.72 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.15
LogP ≤ 5-2.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(phosphonomethylamino)acetic acid?
The IUPAC name of 2-(phosphonomethylamino)acetic acid (CID 22495251) is 2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for 2-(phosphonomethylamino)acetic acid?
The canonical SMILES for 2-(phosphonomethylamino)acetic acid is O=C(O)CNCP(=O)(O)O.O=C(O)CNCP(=O)(O)O.
What is the InChIKey of 2-(phosphonomethylamino)acetic acid?
The InChIKey is WSSAMLJXFBGUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8NO5P/c2*5-3(6)1-4-2-10(7,8)9/h2*4H,1-2H2,(H,5,6)(H2,7,8,9).
What are the key properties of 2-(phosphonomethylamino)acetic acid?
2-(phosphonomethylamino)acetic acid has a molecular weight of 338.15 g/mol, XLogP of -2.41, 8 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 22495251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).