[3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium

C4H11N3O6P+ — CID 57206275

IUPAC[3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium
SMILESNC(=O)NN(O)CC(=O)C[P+](O)(O)O
InChIInChI=1S/C4H10N3O6P/c5-4(9)6-7(10)1-3(8)2-14(11,12)13/h10-13H,1-2H2,(H2-,5,6,9)/p+1
InChIKeyVIKINVWNJQJCMI-UHFFFAOYSA-O
MW228.12 g/mol
LogP-2.43
Rot. Bonds5

About [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium

[3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium (PubChem CID 57206275) has the molecular formula C4H11N3O6P+ and a molecular weight of 228.12 g/mol. Its IUPAC name is [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium
PubChem CID57206275
Molecular FormulaC4H11N3O6P+
Molecular Weight228.12 g/mol
Exact Mass228.04
IUPAC Name[3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium
SMILESNC(=O)NN(O)CC(=O)C[P+](O)(O)O
InChIInChI=1S/C4H10N3O6P/c5-4(9)6-7(10)1-3(8)2-14(11,12)13/h10-13H,1-2H2,(H2-,5,6,9)/p+1
InChIKeyVIKINVWNJQJCMI-UHFFFAOYSA-O
XLogP-2.43
TPSA156.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.12
LogP ≤ 5-2.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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

(3-amino-2-oxopropyl)-trihydroxyphosphanium
CID 57252262
2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid
CID 107434098
[bis(chloromethyl)amino]urea
CID 21153845
1-carbamoyl-3-(dihydroxyamino)urea
CID 3930640
ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
CID 54898521
5-methyl-3-oxohexanamide
CID 140847068
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
2-(carbamoylamino)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60958324
trihydroxy(hydroxymethyl)phosphanium;urea;chloride
CID 118387771
dichloromethylurea
CID 23083847
(2-chloro-2-oxoethyl)-trihydroxyphosphanium
CID 174608065
carbamoylurea;propane-1,1-diol
CID 174530984

Frequently Asked Questions

What is the IUPAC name of [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium?
The IUPAC name of [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium (CID 57206275) is [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium.
What is the SMILES notation for [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium?
The canonical SMILES for [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium is NC(=O)NN(O)CC(=O)C[P+](O)(O)O.
What is the InChIKey of [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium?
The InChIKey is VIKINVWNJQJCMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N3O6P/c5-4(9)6-7(10)1-3(8)2-14(11,12)13/h10-13H,1-2H2,(H2-,5,6,9)/p+1.
What are the key properties of [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium?
[3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium has a molecular weight of 228.12 g/mol, XLogP of -2.43, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium is sourced from PubChem (CID 57206275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).