[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid

C6H14NO5P — CID 13338650

IUPAC[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
SMILESCC(C)OC(=O)CNCP(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-5(2)12-6(8)3-7-4-13(9,10)11/h5,7H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyMVJDQCDPDOQROM-UHFFFAOYSA-N
MW211.15 g/mol
LogP-0.34
Rot. Bonds5

About [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid

[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid (PubChem CID 13338650) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
PubChem CID13338650
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
SMILESCC(C)OC(=O)CNCP(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-5(2)12-6(8)3-7-4-13(9,10)11/h5,7H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyMVJDQCDPDOQROM-UHFFFAOYSA-N
XLogP-0.34
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.34
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

[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid
CID 140635528
CID 172849658
CID 172849658
propan-2-yl 2-(dimethylphosphorylamino)acetate
CID 130330346
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
propan-2-yl 2-(2-methylsulfanylethylamino)acetate
CID 63964446
[(2-heptoxy-2-oxoethyl)amino]methylphosphonic acid
CID 86159815
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
azane;2-(phosphonomethylamino)acetic acid
CID 11615303
propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate
CID 66004857
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
CID 106146656

Frequently Asked Questions

What is the IUPAC name of [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid?
The IUPAC name of [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid (CID 13338650) is [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid is CC(C)OC(=O)CNCP(=O)(O)O.
What is the InChIKey of [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid?
The InChIKey is MVJDQCDPDOQROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-5(2)12-6(8)3-7-4-13(9,10)11/h5,7H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid?
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid has a molecular weight of 211.15 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid is sourced from PubChem (CID 13338650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).