CID 157010255

C4H12NO4P+ — CID 157010255

IUPAC—
SMILESC[N+](C)CCOP(=O)(O)O
InChIInChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/q+1
InChIKeyXNORYOIOVQAIQB-UHFFFAOYSA-N
MW169.12 g/mol
LogP-0.50
Rot. Bonds4

About CID 157010255

CID 157010255 (PubChem CID 157010255) has the molecular formula C4H12NO4P+ and a molecular weight of 169.12 g/mol.

Molecular Properties

Compound NameCID 157010255
PubChem CID157010255
Molecular FormulaC4H12NO4P+
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC Name—
SMILESC[N+](C)CCOP(=O)(O)O
InChIInChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/q+1
InChIKeyXNORYOIOVQAIQB-UHFFFAOYSA-N
XLogP-0.50
TPSA72.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 157010254
CID 157010254
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
azane;butyl dihydrogen phosphate
CID 173333807
dimethyl(2-phosphonooxyethyl)azanium
CID 147104590
propyl dihydrogen phosphate;urea
CID 88818408
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
octatriacontyl dihydrogen phosphate
CID 140979287
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960

Frequently Asked Questions

What is the IUPAC name of CID 157010255?
The IUPAC name of CID 157010255 (CID 157010255) is not available.
What is the SMILES notation for CID 157010255?
The canonical SMILES for CID 157010255 is C[N+](C)CCOP(=O)(O)O.
What is the InChIKey of CID 157010255?
The InChIKey is XNORYOIOVQAIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/q+1.
What are the key properties of CID 157010255?
CID 157010255 has a molecular weight of 169.12 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157010255 is sourced from PubChem (CID 157010255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).