2-(phosphonomethylamino)acetic acid

C3H8NO5P — CID 3496

IUPAC2-(phosphonomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-N
MW169.07 g/mol
LogP-1.20
Rot. Bonds4

About 2-(phosphonomethylamino)acetic acid

2-(phosphonomethylamino)acetic acid (PubChem CID 3496) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is 2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Name2-(phosphonomethylamino)acetic acid
PubChem CID3496
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name2-(phosphonomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-N
XLogP-1.20
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyphosate sesquisodium salt
CID 71463591
Glycine, N-(phosphonomethyl)-, 1-methyl ester
CID 12795583
glyphosate N-(phosphonomethyl) glycine
CID 22495251
Glyphosate-monoammonium
CID 11615303
glyphosate dimethylamine salt
CID 13208144
Glycine, N-(phosphonomethyl)-potassium salt
CID 23673029
Glyphosate potassium
CID 23716553
Glyphosate-diammonium
CID 44146828
Glyphosate(2-)
CID 25203640
N-(2-Phosphonoethyl)glycine
CID 19801600
N-(3-Phosphonopropyl)glycine
CID 19801605
N-(Phosphonomethyl)glycine--hydrogen chloride (1/1)
CID 23182961

Frequently Asked Questions

What is the IUPAC name of 2-(phosphonomethylamino)acetic acid?
The IUPAC name of 2-(phosphonomethylamino)acetic acid (CID 3496) 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.
What is the InChIKey of 2-(phosphonomethylamino)acetic acid?
The InChIKey is XDDAORKBJWWYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,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 169.07 g/mol, XLogP of -1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 3496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).