azane;2-(phosphonomethylamino)acetic acid

C3H11N2O5P — CID 11615303

IUPACazane;2-(phosphonomethylamino)acetic acid
SMILESN.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3
InChIKeyPDYXIVPKOMYDOK-UHFFFAOYSA-N
MW186.10 g/mol
LogP-1.04
Rot. Bonds4

About azane;2-(phosphonomethylamino)acetic acid

azane;2-(phosphonomethylamino)acetic acid (PubChem CID 11615303) has the molecular formula C3H11N2O5P and a molecular weight of 186.10 g/mol. Its IUPAC name is azane;2-(phosphonomethylamino)acetic acid.

Molecular Properties

Compound Nameazane;2-(phosphonomethylamino)acetic acid
PubChem CID11615303
Molecular FormulaC3H11N2O5P
Molecular Weight186.10 g/mol
Exact Mass186.04
IUPAC Nameazane;2-(phosphonomethylamino)acetic acid
SMILESN.O=C(O)CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3
InChIKeyPDYXIVPKOMYDOK-UHFFFAOYSA-N
XLogP-1.04
TPSA141.86 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glyphosate
CID 3496
Roundup
CID 38078
Glyphosate sesquisodium salt
CID 71463591
glyphosate dimethylamine salt
CID 13208144
Glyphosate potassium
CID 23716553
Glyphosate-diammonium
CID 44146828
glyphosate N-(phosphonomethyl) glycine
CID 22495251
Glyphosate(2-)
CID 25203640
N-(2-Phosphonoethyl)glycine
CID 19801600
N-(Phosphonomethyl)glycine--hydrogen chloride (1/1)
CID 23182961
CID 59310676
CID 59310676
Glycine, N-(phosphonomethyl)-potassium salt
CID 23673029

Frequently Asked Questions

What is the IUPAC name of azane;2-(phosphonomethylamino)acetic acid?
The IUPAC name of azane;2-(phosphonomethylamino)acetic acid (CID 11615303) is azane;2-(phosphonomethylamino)acetic acid.
What is the SMILES notation for azane;2-(phosphonomethylamino)acetic acid?
The canonical SMILES for azane;2-(phosphonomethylamino)acetic acid is N.O=C(O)CNCP(=O)(O)O.
What is the InChIKey of azane;2-(phosphonomethylamino)acetic acid?
The InChIKey is PDYXIVPKOMYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3.
What are the key properties of azane;2-(phosphonomethylamino)acetic acid?
azane;2-(phosphonomethylamino)acetic acid has a molecular weight of 186.10 g/mol, XLogP of -1.04, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(phosphonomethylamino)acetic acid is sourced from PubChem (CID 11615303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).