2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid

C5H10NO7P — CID 87476304

IUPAC2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid
SMILESNCP(=O)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C5H10NO7P/c6-3-14(11,12-1-4(7)8)13-2-5(9)10/h1-3,6H2,(H,7,8)(H,9,10)
InChIKeySGQURXZTSXQZBC-UHFFFAOYSA-N
MW227.11 g/mol
LogP-0.70
Rot. Bonds7

About 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid

2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid (PubChem CID 87476304) has the molecular formula C5H10NO7P and a molecular weight of 227.11 g/mol. Its IUPAC name is 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid.

Molecular Properties

Compound Name2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid
PubChem CID87476304
Molecular FormulaC5H10NO7P
Molecular Weight227.11 g/mol
Exact Mass227.02
IUPAC Name2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid
SMILESNCP(=O)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C5H10NO7P/c6-3-14(11,12-1-4(7)8)13-2-5(9)10/h1-3,6H2,(H,7,8)(H,9,10)
InChIKeySGQURXZTSXQZBC-UHFFFAOYSA-N
XLogP-0.70
TPSA136.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
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-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid?
The IUPAC name of 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid (CID 87476304) is 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid.
What is the SMILES notation for 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid?
The canonical SMILES for 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid is NCP(=O)(OCC(=O)O)OCC(=O)O.
What is the InChIKey of 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid?
The InChIKey is SGQURXZTSXQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO7P/c6-3-14(11,12-1-4(7)8)13-2-5(9)10/h1-3,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid?
2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid has a molecular weight of 227.11 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[aminomethyl(carboxymethoxy)phosphoryl]oxyacetic acid is sourced from PubChem (CID 87476304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).