bis(carbamoylamino) propyl phosphate

C5H13N4O6P — CID 88818411

IUPACbis(carbamoylamino) propyl phosphate
SMILESCCCOP(=O)(ONC(N)=O)ONC(N)=O
InChIInChI=1S/C5H13N4O6P/c1-2-3-13-16(12,14-8-4(6)10)15-9-5(7)11/h2-3H2,1H3,(H3,6,8,10)(H3,7,9,11)
InChIKeyMOXHQRFHMMGACG-UHFFFAOYSA-N
MW256.15 g/mol
LogP-0.28
Rot. Bonds7

About bis(carbamoylamino) propyl phosphate

bis(carbamoylamino) propyl phosphate (PubChem CID 88818411) has the molecular formula C5H13N4O6P and a molecular weight of 256.15 g/mol. Its IUPAC name is bis(carbamoylamino) propyl phosphate.

Molecular Properties

Compound Namebis(carbamoylamino) propyl phosphate
PubChem CID88818411
Molecular FormulaC5H13N4O6P
Molecular Weight256.15 g/mol
Exact Mass256.06
IUPAC Namebis(carbamoylamino) propyl phosphate
SMILESCCCOP(=O)(ONC(N)=O)ONC(N)=O
InChIInChI=1S/C5H13N4O6P/c1-2-3-13-16(12,14-8-4(6)10)15-9-5(7)11/h2-3H2,1H3,(H3,6,8,10)(H3,7,9,11)
InChIKeyMOXHQRFHMMGACG-UHFFFAOYSA-N
XLogP-0.28
TPSA155.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(carbamoylamino) propyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(cyclohexanecarbonylamino) propyl phosphate
CID 21440695
propyl dihydrogen phosphate;urea
CID 88818408
dipropoxyphosphoryl hydrogen carbonate
CID 175546987
dimethyl propyl phosphate;octadecanamide
CID 161011804
(carbamoylamino) dihydrogen phosphate
CID 57166645
diiodo propyl phosphate
CID 175578929
calcium;(carbamoylamino) dihydrogen phosphate;hydride
CID 174794856
[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
CID 89297005
N-acetyl-propoxyphosphonamidic acid
CID 146414969
propyl carbamate;dihydrochloride
CID 87576214
diheptyl propyl phosphate
CID 22497721
amino (carbamoylamino) hydrogen phosphate
CID 174817337

Frequently Asked Questions

What is the IUPAC name of bis(carbamoylamino) propyl phosphate?
The IUPAC name of bis(carbamoylamino) propyl phosphate (CID 88818411) is bis(carbamoylamino) propyl phosphate.
What is the SMILES notation for bis(carbamoylamino) propyl phosphate?
The canonical SMILES for bis(carbamoylamino) propyl phosphate is CCCOP(=O)(ONC(N)=O)ONC(N)=O.
What is the InChIKey of bis(carbamoylamino) propyl phosphate?
The InChIKey is MOXHQRFHMMGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N4O6P/c1-2-3-13-16(12,14-8-4(6)10)15-9-5(7)11/h2-3H2,1H3,(H3,6,8,10)(H3,7,9,11).
What are the key properties of bis(carbamoylamino) propyl phosphate?
bis(carbamoylamino) propyl phosphate has a molecular weight of 256.15 g/mol, XLogP of -0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbamoylamino) propyl phosphate is sourced from PubChem (CID 88818411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).