[(2-methoxy-2-oxoethyl)amino]methylphosphonic acid

C4H10NO5P — CID 12795583

IUPAC[(2-methoxy-2-oxoethyl)amino]methylphosphonic acid
SMILESCOC(=O)CNCP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-10-4(6)2-5-3-11(7,8)9/h5H,2-3H2,1H3,(H2,7,8,9)
InChIKeyYYGUXKOBRVTICK-UHFFFAOYSA-N
MW183.10 g/mol
LogP-1.12
Rot. Bonds4

About [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid

[(2-methoxy-2-oxoethyl)amino]methylphosphonic acid (PubChem CID 12795583) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-methoxy-2-oxoethyl)amino]methylphosphonic acid
PubChem CID12795583
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name[(2-methoxy-2-oxoethyl)amino]methylphosphonic acid
SMILESCOC(=O)CNCP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-10-4(6)2-5-3-11(7,8)9/h5H,2-3H2,1H3,(H2,7,8,9)
InChIKeyYYGUXKOBRVTICK-UHFFFAOYSA-N
XLogP-1.12
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methoxy-2-oxoethyl)amino]methylphosphonic acid?
The IUPAC name of [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid (CID 12795583) is [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid is COC(=O)CNCP(=O)(O)O.
What is the InChIKey of [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid?
The InChIKey is YYGUXKOBRVTICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-10-4(6)2-5-3-11(7,8)9/h5H,2-3H2,1H3,(H2,7,8,9).
What are the key properties of [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid?
[(2-methoxy-2-oxoethyl)amino]methylphosphonic acid has a molecular weight of 183.10 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-2-oxoethyl)amino]methylphosphonic acid is sourced from PubChem (CID 12795583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).