2-(phosphonomethyl(15N)amino)acetic acid

C3H8NO5P — CID 46780452

IUPAC2-(phosphonomethyl(15N)amino)acetic acid
SMILESO=[13C](O)[13CH2][15NH]CP(=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)/i1+1,3+1,4+1
InChIKeyXDDAORKBJWWYJS-QZJDPFNNSA-N
MW172.05 g/mol
LogP-1.20
Rot. Bonds4

About 2-(phosphonomethyl(15N)amino)acetic acid

2-(phosphonomethyl(15N)amino)acetic acid (PubChem CID 46780452) has the molecular formula C3H8NO5P and a molecular weight of 172.05 g/mol. Its IUPAC name is 2-(phosphonomethyl(15N)amino)acetic acid.

Molecular Properties

Compound Name2-(phosphonomethyl(15N)amino)acetic acid
PubChem CID46780452
Molecular FormulaC3H8NO5P
Molecular Weight172.05 g/mol
Exact Mass172.02
IUPAC Name2-(phosphonomethyl(15N)amino)acetic acid
SMILESO=[13C](O)[13CH2][15NH]CP(=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)/i1+1,3+1,4+1
InChIKeyXDDAORKBJWWYJS-QZJDPFNNSA-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 ≤ 500172.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(phosphonomethyl(15N)amino)acetic acid?
The IUPAC name of 2-(phosphonomethyl(15N)amino)acetic acid (CID 46780452) is 2-(phosphonomethyl(15N)amino)acetic acid.
What is the SMILES notation for 2-(phosphonomethyl(15N)amino)acetic acid?
The canonical SMILES for 2-(phosphonomethyl(15N)amino)acetic acid is O=[13C](O)[13CH2][15NH]CP(=O)(O)O.
What is the InChIKey of 2-(phosphonomethyl(15N)amino)acetic acid?
The InChIKey is XDDAORKBJWWYJS-QZJDPFNNSA-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)/i1+1,3+1,4+1.
What are the key properties of 2-(phosphonomethyl(15N)amino)acetic acid?
2-(phosphonomethyl(15N)amino)acetic acid has a molecular weight of 172.05 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-(phosphonomethyl(15N)amino)acetic acid is sourced from PubChem (CID 46780452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).