2-[carboxymethyl(phosphono)amino]acetic acid

C4H8NO7P — CID 23045816

IUPAC2-[carboxymethyl(phosphono)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)P(=O)(O)O
InChIInChI=1S/C4H8NO7P/c6-3(7)1-5(2-4(8)9)13(10,11)12/h1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)
InChIKeyCVBKKNGZEKPPGO-UHFFFAOYSA-N
MW213.08 g/mol
LogP-1.45
Rot. Bonds5

About 2-[carboxymethyl(phosphono)amino]acetic acid

2-[carboxymethyl(phosphono)amino]acetic acid (PubChem CID 23045816) has the molecular formula C4H8NO7P and a molecular weight of 213.08 g/mol. Its IUPAC name is 2-[carboxymethyl(phosphono)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(phosphono)amino]acetic acid
PubChem CID23045816
Molecular FormulaC4H8NO7P
Molecular Weight213.08 g/mol
Exact Mass213.00
IUPAC Name2-[carboxymethyl(phosphono)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)P(=O)(O)O
InChIInChI=1S/C4H8NO7P/c6-3(7)1-5(2-4(8)9)13(10,11)12/h1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)
InChIKeyCVBKKNGZEKPPGO-UHFFFAOYSA-N
XLogP-1.45
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[carboxymethyl(phosphono)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(phosphono)amino]acetic acid (CID 23045816) is 2-[carboxymethyl(phosphono)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(phosphono)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(phosphono)amino]acetic acid is O=C(O)CN(CC(=O)O)P(=O)(O)O.
What is the InChIKey of 2-[carboxymethyl(phosphono)amino]acetic acid?
The InChIKey is CVBKKNGZEKPPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO7P/c6-3(7)1-5(2-4(8)9)13(10,11)12/h1-2H2,(H,6,7)(H,8,9)(H2,10,11,12).
What are the key properties of 2-[carboxymethyl(phosphono)amino]acetic acid?
2-[carboxymethyl(phosphono)amino]acetic acid has a molecular weight of 213.08 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(phosphono)amino]acetic acid is sourced from PubChem (CID 23045816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).