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

C3H7ClNO5P — CID 140635528

IUPAC[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid
SMILESO=C(CNCP(=O)(O)O)OCl
InChIInChI=1S/C3H7ClNO5P/c4-10-3(6)1-5-2-11(7,8)9/h5H,1-2H2,(H2,7,8,9)
InChIKeyIOHXZHVECBHFMP-UHFFFAOYSA-N
MW203.52 g/mol
LogP-0.59
Rot. Bonds4

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

[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid (PubChem CID 140635528) has the molecular formula C3H7ClNO5P and a molecular weight of 203.52 g/mol. Its IUPAC name is [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid
PubChem CID140635528
Molecular FormulaC3H7ClNO5P
Molecular Weight203.52 g/mol
Exact Mass202.98
IUPAC Name[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid
SMILESO=C(CNCP(=O)(O)O)OCl
InChIInChI=1S/C3H7ClNO5P/c4-10-3(6)1-5-2-11(7,8)9/h5H,1-2H2,(H2,7,8,9)
InChIKeyIOHXZHVECBHFMP-UHFFFAOYSA-N
XLogP-0.59
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.52
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 172849658
CID 172849658
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
azane;2-(phosphonomethylamino)acetic acid
CID 11615303
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid
CID 161005171
calcium;hydride;2-(phosphonomethylamino)acetic acid
CID 173098148
calcium bis(2-(phosphonomethylamino)acetate)
CID 139601008
(hydroxymethylamino)methylphosphonic acid
CID 20673096
[(2-heptoxy-2-oxoethyl)amino]methylphosphonic acid
CID 86159815
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
[[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid
CID 154381766
2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
CID 88798173

Frequently Asked Questions

What is the IUPAC name of [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid?
The IUPAC name of [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid (CID 140635528) is [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid is O=C(CNCP(=O)(O)O)OCl.
What is the InChIKey of [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid?
The InChIKey is IOHXZHVECBHFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClNO5P/c4-10-3(6)1-5-2-11(7,8)9/h5H,1-2H2,(H2,7,8,9).
What are the key properties of [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid?
[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid has a molecular weight of 203.52 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid is sourced from PubChem (CID 140635528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).