amino (carbamoylamino) hydrogen phosphate

CH6N3O5P — CID 174817337

IUPACamino (carbamoylamino) hydrogen phosphate
SMILESNOP(=O)(O)ONC(N)=O
InChIInChI=1S/CH6N3O5P/c2-1(5)4-9-10(6,7)8-3/h3H2,(H,6,7)(H3,2,4,5)
InChIKeyFIUNOJVUXVDPSH-UHFFFAOYSA-N
MW171.05 g/mol
LogP-1.42
Rot. Bonds3

About amino (carbamoylamino) hydrogen phosphate

amino (carbamoylamino) hydrogen phosphate (PubChem CID 174817337) has the molecular formula CH6N3O5P and a molecular weight of 171.05 g/mol. Its IUPAC name is amino (carbamoylamino) hydrogen phosphate.

Molecular Properties

Compound Nameamino (carbamoylamino) hydrogen phosphate
PubChem CID174817337
Molecular FormulaCH6N3O5P
Molecular Weight171.05 g/mol
Exact Mass171.00
IUPAC Nameamino (carbamoylamino) hydrogen phosphate
SMILESNOP(=O)(O)ONC(N)=O
InChIInChI=1S/CH6N3O5P/c2-1(5)4-9-10(6,7)8-3/h3H2,(H,6,7)(H3,2,4,5)
InChIKeyFIUNOJVUXVDPSH-UHFFFAOYSA-N
XLogP-1.42
TPSA136.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.05
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(carbamoylamino) dihydrogen phosphate
CID 57166645
calcium;(carbamoylamino) dihydrogen phosphate;hydride
CID 174794856
potassium;azane;(carbamoylamino) hydrogen phosphate
CID 173033502
bis(carbamoylamino) propyl phosphate
CID 88818411
aminooxyphosphonamidic acid
CID 22629890
phosphoric acid;sulfanylurea
CID 118224142
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155
potassium;amino dihydrogen phosphate;hydride
CID 174393027
[aminooxy(hydroxy)phosphoryl] methanesulfonate
CID 169100222
fluorophosphonic acid;methylurea
CID 173044631
(carbamoylamino) N-carbamoylcarbamate
CID 57474139

Frequently Asked Questions

What is the IUPAC name of amino (carbamoylamino) hydrogen phosphate?
The IUPAC name of amino (carbamoylamino) hydrogen phosphate (CID 174817337) is amino (carbamoylamino) hydrogen phosphate.
What is the SMILES notation for amino (carbamoylamino) hydrogen phosphate?
The canonical SMILES for amino (carbamoylamino) hydrogen phosphate is NOP(=O)(O)ONC(N)=O.
What is the InChIKey of amino (carbamoylamino) hydrogen phosphate?
The InChIKey is FIUNOJVUXVDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N3O5P/c2-1(5)4-9-10(6,7)8-3/h3H2,(H,6,7)(H3,2,4,5).
What are the key properties of amino (carbamoylamino) hydrogen phosphate?
amino (carbamoylamino) hydrogen phosphate has a molecular weight of 171.05 g/mol, XLogP of -1.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (carbamoylamino) hydrogen phosphate is sourced from PubChem (CID 174817337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).