[2-(methylamino)-2-oxoethyl]phosphonic acid

C3H8NO4P — CID 12521973

IUPAC[2-(methylamino)-2-oxoethyl]phosphonic acid
SMILESCNC(=O)CP(=O)(O)O
InChIInChI=1S/C3H8NO4P/c1-4-3(5)2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyKZUUXRXBGUBMPA-UHFFFAOYSA-N
MW153.07 g/mol
LogP-1.09
Rot. Bonds2

About [2-(methylamino)-2-oxoethyl]phosphonic acid

[2-(methylamino)-2-oxoethyl]phosphonic acid (PubChem CID 12521973) has the molecular formula C3H8NO4P and a molecular weight of 153.07 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]phosphonic acid
PubChem CID12521973
Molecular FormulaC3H8NO4P
Molecular Weight153.07 g/mol
Exact Mass153.02
IUPAC Name[2-(methylamino)-2-oxoethyl]phosphonic acid
SMILESCNC(=O)CP(=O)(O)O
InChIInChI=1S/C3H8NO4P/c1-4-3(5)2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyKZUUXRXBGUBMPA-UHFFFAOYSA-N
XLogP-1.09
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(methylamino)-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-(methylamino)-2-oxoethyl]phosphonic acid (CID 12521973) is [2-(methylamino)-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]phosphonic acid is CNC(=O)CP(=O)(O)O.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]phosphonic acid?
The InChIKey is KZUUXRXBGUBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO4P/c1-4-3(5)2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8).
What are the key properties of [2-(methylamino)-2-oxoethyl]phosphonic acid?
[2-(methylamino)-2-oxoethyl]phosphonic acid has a molecular weight of 153.07 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 12521973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).