(carbamoylamino) dihydrogen phosphate

CH5N2O5P — CID 57166645

IUPAC(carbamoylamino) dihydrogen phosphate
SMILESNC(=O)NOP(=O)(O)O
InChIInChI=1S/CH5N2O5P/c2-1(4)3-8-9(5,6)7/h(H3,2,3,4)(H2,5,6,7)
InChIKeyDONUJQOZMIKGPR-UHFFFAOYSA-N
MW156.03 g/mol
LogP-1.32
Rot. Bonds2

About (carbamoylamino) dihydrogen phosphate

(carbamoylamino) dihydrogen phosphate (PubChem CID 57166645) has the molecular formula CH5N2O5P and a molecular weight of 156.03 g/mol. Its IUPAC name is (carbamoylamino) dihydrogen phosphate.

Molecular Properties

Compound Name(carbamoylamino) dihydrogen phosphate
PubChem CID57166645
Molecular FormulaCH5N2O5P
Molecular Weight156.03 g/mol
Exact Mass155.99
IUPAC Name(carbamoylamino) dihydrogen phosphate
SMILESNC(=O)NOP(=O)(O)O
InChIInChI=1S/CH5N2O5P/c2-1(4)3-8-9(5,6)7/h(H3,2,3,4)(H2,5,6,7)
InChIKeyDONUJQOZMIKGPR-UHFFFAOYSA-N
XLogP-1.32
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

calcium;(carbamoylamino) dihydrogen phosphate;hydride
CID 174794856
amino (carbamoylamino) hydrogen phosphate
CID 174817337
potassium;azane;(carbamoylamino) hydrogen phosphate
CID 173033502
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155
bis(carbamoylamino) propyl phosphate
CID 88818411
phosphoric acid;sulfanylurea
CID 118224142
(phosphanylamino) dihydrogen phosphate
CID 151875786
[[N'-(2-aminoethylamino)carbamimidoyl]amino] dihydrogen phosphate
CID 173077552
fluorophosphonic acid;methylurea
CID 173044631
sodium;hydride;phosphono carbamate
CID 173413043
bis(carbamoylamino)methylphosphonic acid
CID 88731403
hydroperoxyurea;hydrate
CID 57429717

Frequently Asked Questions

What is the IUPAC name of (carbamoylamino) dihydrogen phosphate?
The IUPAC name of (carbamoylamino) dihydrogen phosphate (CID 57166645) is (carbamoylamino) dihydrogen phosphate.
What is the SMILES notation for (carbamoylamino) dihydrogen phosphate?
The canonical SMILES for (carbamoylamino) dihydrogen phosphate is NC(=O)NOP(=O)(O)O.
What is the InChIKey of (carbamoylamino) dihydrogen phosphate?
The InChIKey is DONUJQOZMIKGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N2O5P/c2-1(4)3-8-9(5,6)7/h(H3,2,3,4)(H2,5,6,7).
What are the key properties of (carbamoylamino) dihydrogen phosphate?
(carbamoylamino) dihydrogen phosphate has a molecular weight of 156.03 g/mol, XLogP of -1.32, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoylamino) dihydrogen phosphate is sourced from PubChem (CID 57166645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).