2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate

C4H12N3O4P — CID 23342

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IUPAC2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate
SMILES[H]/N=C(\N)N(C)CCOP(=O)(O)O
InChIInChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)
InChIKeyFOIPWTMKYXWFGC-UHFFFAOYSA-N
MW197.13 g/mol
LogP-1.08
Rot. Bonds4

About 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate

2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate (PubChem CID 23342) has the molecular formula C4H12N3O4P and a molecular weight of 197.13 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate
PubChem CID23342
Molecular FormulaC4H12N3O4P
Molecular Weight197.13 g/mol
Exact Mass197.06
IUPAC Name2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate
SMILES[H]/N=C(\N)N(C)CCOP(=O)(O)O
InChIInChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)
InChIKeyFOIPWTMKYXWFGC-UHFFFAOYSA-N
XLogP-1.08
TPSA119.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Creatinolfosfate disodium
CID 51346595
1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate
CID 21449247
Calcium 2-(N-methylcarbamimidamido)ethyl phosphate
CID 72201053
Disodium;2-[carbamimidoyl(methyl)amino]ethyl phosphate
CID 45382237
2-[Carbamimidoyl(methyl)amino]ethyl hydrogen phosphate
CID 57910265
1-(2-Dichlorophosphoryloxyethyl)-1-methylguanidine
CID 58250183
[2-[Carbamimidoyl(methyl)amino]ethoxy-hydroxyphosphoryl] 2-[carbamimidoyl(methyl)amino]ethyl hydrogen phosphate
CID 58250185
2-[Carbamimidoyl(methyl)amino]ethoxy-methylphosphinic acid
CID 59707804
[(E)-[amino-[2-hydroxyethyl(methyl)amino]methylidene]amino] dihydrogen phosphate
CID 71775880
1-[Carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate
CID 87670525
[Carbamimidoyl-[1-[hydroxy(methoxy)phosphoryl]oxyethyl]amino]phosphonic acid
CID 155059220
[Carbamimidoyl-[2-[hydroxy(methoxy)phosphoryl]oxyethyl]amino]phosphonic acid
CID 155059221

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate (CID 23342) is 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate is [H]/N=C(\N)N(C)CCOP(=O)(O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate?
The InChIKey is FOIPWTMKYXWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10).
What are the key properties of 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate?
2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate has a molecular weight of 197.13 g/mol, XLogP of -1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate is sourced from PubChem (CID 23342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).