2-[bis(phosphonomethyl)amino]acetic acid

C4H11NO8P2 — CID 17112

IUPAC2-[bis(phosphonomethyl)amino]acetic acid
SMILESO=C(O)CN(CP(=O)(O)O)CP(=O)(O)O
InChIInChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyOXHDYFKENBXUEM-UHFFFAOYSA-N
MW263.08 g/mol
LogP-1.36
Rot. Bonds6

About 2-[bis(phosphonomethyl)amino]acetic acid

2-[bis(phosphonomethyl)amino]acetic acid (PubChem CID 17112) has the molecular formula C4H11NO8P2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-[bis(phosphonomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(phosphonomethyl)amino]acetic acid
PubChem CID17112
Molecular FormulaC4H11NO8P2
Molecular Weight263.08 g/mol
Exact Mass263.00
IUPAC Name2-[bis(phosphonomethyl)amino]acetic acid
SMILESO=C(O)CN(CP(=O)(O)O)CP(=O)(O)O
InChIInChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyOXHDYFKENBXUEM-UHFFFAOYSA-N
XLogP-1.36
TPSA155.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 5-1.36
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

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CID 108696
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CID 14294516
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CID 23045816
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CID 23422754
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Frequently Asked Questions

What is the IUPAC name of 2-[bis(phosphonomethyl)amino]acetic acid?
The IUPAC name of 2-[bis(phosphonomethyl)amino]acetic acid (CID 17112) is 2-[bis(phosphonomethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(phosphonomethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(phosphonomethyl)amino]acetic acid is O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O.
What is the InChIKey of 2-[bis(phosphonomethyl)amino]acetic acid?
The InChIKey is OXHDYFKENBXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13).
What are the key properties of 2-[bis(phosphonomethyl)amino]acetic acid?
2-[bis(phosphonomethyl)amino]acetic acid has a molecular weight of 263.08 g/mol, XLogP of -1.36, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(phosphonomethyl)amino]acetic acid is sourced from PubChem (CID 17112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).