[carbamoyl(methyl)amino]methyl dihydrogen phosphate

C3H9N2O5P — CID 90348604

IUPAC[carbamoyl(methyl)amino]methyl dihydrogen phosphate
SMILESCN(COP(=O)(O)O)C(N)=O
InChIInChI=1S/C3H9N2O5P/c1-5(3(4)6)2-10-11(7,8)9/h2H2,1H3,(H2,4,6)(H2,7,8,9)
InChIKeyRKURGPDALOGIFZ-UHFFFAOYSA-N
MW184.09 g/mol
LogP-0.94
Rot. Bonds3

About [carbamoyl(methyl)amino]methyl dihydrogen phosphate

[carbamoyl(methyl)amino]methyl dihydrogen phosphate (PubChem CID 90348604) has the molecular formula C3H9N2O5P and a molecular weight of 184.09 g/mol. Its IUPAC name is [carbamoyl(methyl)amino]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[carbamoyl(methyl)amino]methyl dihydrogen phosphate
PubChem CID90348604
Molecular FormulaC3H9N2O5P
Molecular Weight184.09 g/mol
Exact Mass184.02
IUPAC Name[carbamoyl(methyl)amino]methyl dihydrogen phosphate
SMILESCN(COP(=O)(O)O)C(N)=O
InChIInChI=1S/C3H9N2O5P/c1-5(3(4)6)2-10-11(7,8)9/h2H2,1H3,(H2,4,6)(H2,7,8,9)
InChIKeyRKURGPDALOGIFZ-UHFFFAOYSA-N
XLogP-0.94
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2-amino-2-oxoethyl)-(phosphonooxymethyl)amino]methyl dihydrogen phosphate
CID 20776540
[bis(phosphonooxymethyl)amino]methyl dihydrogen phosphate
CID 14047946
propyl dihydrogen phosphate;urea
CID 88818408
alumane;ethyl dihydrogen phosphate
CID 173113989
1-ethyl-1-methylurea
CID 3032104
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
[3-(dimethylamino)propyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate
CID 20776520
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083

Frequently Asked Questions

What is the IUPAC name of [carbamoyl(methyl)amino]methyl dihydrogen phosphate?
The IUPAC name of [carbamoyl(methyl)amino]methyl dihydrogen phosphate (CID 90348604) is [carbamoyl(methyl)amino]methyl dihydrogen phosphate.
What is the SMILES notation for [carbamoyl(methyl)amino]methyl dihydrogen phosphate?
The canonical SMILES for [carbamoyl(methyl)amino]methyl dihydrogen phosphate is CN(COP(=O)(O)O)C(N)=O.
What is the InChIKey of [carbamoyl(methyl)amino]methyl dihydrogen phosphate?
The InChIKey is RKURGPDALOGIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O5P/c1-5(3(4)6)2-10-11(7,8)9/h2H2,1H3,(H2,4,6)(H2,7,8,9).
What are the key properties of [carbamoyl(methyl)amino]methyl dihydrogen phosphate?
[carbamoyl(methyl)amino]methyl dihydrogen phosphate has a molecular weight of 184.09 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [carbamoyl(methyl)amino]methyl dihydrogen phosphate is sourced from PubChem (CID 90348604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).