N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid

C8H21N2O6P — CID 161005171

IUPACN,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid
SMILESCN(C)C.O=C(CNCP(=O)(O)O)OCCO
InChIInChI=1S/C5H12NO6P.C3H9N/c7-1-2-12-5(8)3-6-4-13(9,10)11;1-4(2)3/h6-7H,1-4H2,(H2,9,10,11);1-3H3
InChIKeyTWKGFPVFGLVADN-UHFFFAOYSA-N
MW272.24 g/mol
LogP-1.58
Rot. Bonds6

About N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid

N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid (PubChem CID 161005171) has the molecular formula C8H21N2O6P and a molecular weight of 272.24 g/mol. Its IUPAC name is N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid
PubChem CID161005171
Molecular FormulaC8H21N2O6P
Molecular Weight272.24 g/mol
Exact Mass272.11
IUPAC NameN,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid
SMILESCN(C)C.O=C(CNCP(=O)(O)O)OCCO
InChIInChI=1S/C5H12NO6P.C3H9N/c7-1-2-12-5(8)3-6-4-13(9,10)11;1-4(2)3/h6-7H,1-4H2,(H2,9,10,11);1-3H3
InChIKeyTWKGFPVFGLVADN-UHFFFAOYSA-N
XLogP-1.58
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid
CID 154381766
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
[(2-heptoxy-2-oxoethyl)amino]methylphosphonic acid
CID 86159815
CID 172849658
CID 172849658
[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid
CID 140635528
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
CID 88798173
(hydroxymethylamino)methylphosphonic acid
CID 20673096
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
azane;2-(phosphonomethylamino)acetic acid
CID 11615303
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid?
The IUPAC name of N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid (CID 161005171) is N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid.
What is the SMILES notation for N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid?
The canonical SMILES for N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid is CN(C)C.O=C(CNCP(=O)(O)O)OCCO.
What is the InChIKey of N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid?
The InChIKey is TWKGFPVFGLVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO6P.C3H9N/c7-1-2-12-5(8)3-6-4-13(9,10)11;1-4(2)3/h6-7H,1-4H2,(H2,9,10,11);1-3H3.
What are the key properties of N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid?
N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid has a molecular weight of 272.24 g/mol, XLogP of -1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid is sourced from PubChem (CID 161005171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).