(hydroxymethylcarbamoylamino)methylphosphanium chloride

C3H10ClN2O2P — CID 157403401

IUPAC(hydroxymethylcarbamoylamino)methylphosphanium chloride
SMILESO=C(NCO)NC[PH3+].[Cl-]
InChIInChI=1S/C3H9N2O2P.ClH/c6-1-4-3(7)5-2-8;/h6H,1-2,8H2,(H2,4,5,7);1H
InChIKeyBNKZQESUDNFGMR-UHFFFAOYSA-N
MW172.55 g/mol
LogP-4.20
Rot. Bonds2

About (hydroxymethylcarbamoylamino)methylphosphanium chloride

(hydroxymethylcarbamoylamino)methylphosphanium chloride (PubChem CID 157403401) has the molecular formula C3H10ClN2O2P and a molecular weight of 172.55 g/mol. Its IUPAC name is (hydroxymethylcarbamoylamino)methylphosphanium chloride.

Molecular Properties

Compound Name(hydroxymethylcarbamoylamino)methylphosphanium chloride
PubChem CID157403401
Molecular FormulaC3H10ClN2O2P
Molecular Weight172.55 g/mol
Exact Mass172.02
IUPAC Name(hydroxymethylcarbamoylamino)methylphosphanium chloride
SMILESO=C(NCO)NC[PH3+].[Cl-]
InChIInChI=1S/C3H9N2O2P.ClH/c6-1-4-3(7)5-2-8;/h6H,1-2,8H2,(H2,4,5,7);1H
InChIKeyBNKZQESUDNFGMR-UHFFFAOYSA-N
XLogP-4.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.55
LogP ≤ 5-4.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(hydroxymethyl)urea;hydrate
CID 139703272
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
bis(1,3-bis(hydroxymethyl)urea);hydroxymethylurea;methane
CID 158808417
1,3-bis(hydroxymethyl)urea;hexanedioic acid
CID 157354284
1,3-bis(hydroxymethyl)urea;propane-1,2-diol;propane-1,2,3-triol
CID 161356873
1-[[bis(2-hydroxyethyl)amino]methyl]-3-(hydroxymethyl)urea
CID 163829356
2,2-dichloro-N-(hydroxymethyl)acetamide
CID 12832764
CID 58589580
CID 58589580
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
1,3-bis(but-3-ynyl)urea
CID 21388713

Frequently Asked Questions

What is the IUPAC name of (hydroxymethylcarbamoylamino)methylphosphanium chloride?
The IUPAC name of (hydroxymethylcarbamoylamino)methylphosphanium chloride (CID 157403401) is (hydroxymethylcarbamoylamino)methylphosphanium chloride.
What is the SMILES notation for (hydroxymethylcarbamoylamino)methylphosphanium chloride?
The canonical SMILES for (hydroxymethylcarbamoylamino)methylphosphanium chloride is O=C(NCO)NC[PH3+].[Cl-].
What is the InChIKey of (hydroxymethylcarbamoylamino)methylphosphanium chloride?
The InChIKey is BNKZQESUDNFGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O2P.ClH/c6-1-4-3(7)5-2-8;/h6H,1-2,8H2,(H2,4,5,7);1H.
What are the key properties of (hydroxymethylcarbamoylamino)methylphosphanium chloride?
(hydroxymethylcarbamoylamino)methylphosphanium chloride has a molecular weight of 172.55 g/mol, XLogP of -4.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxymethylcarbamoylamino)methylphosphanium chloride is sourced from PubChem (CID 157403401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).