2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium

C5H12N2O3P+ — CID 57245559

IUPAC2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium
SMILESCC(C[P+](=O)O)NC(=O)CN
InChIInChI=1S/C5H11N2O3P/c1-4(3-11(9)10)7-5(8)2-6/h4H,2-3,6H2,1H3,(H-,7,8,9,10)/p+1
InChIKeyADWQNZYYMLIKJC-UHFFFAOYSA-O
MW179.14 g/mol
LogP-0.82
Rot. Bonds4

About 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium

2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium (PubChem CID 57245559) has the molecular formula C5H12N2O3P+ and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium
PubChem CID57245559
Molecular FormulaC5H12N2O3P+
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium
SMILESCC(C[P+](=O)O)NC(=O)CN
InChIInChI=1S/C5H11N2O3P/c1-4(3-11(9)10)7-5(8)2-6/h4H,2-3,6H2,1H3,(H-,7,8,9,10)/p+1
InChIKeyADWQNZYYMLIKJC-UHFFFAOYSA-O
XLogP-0.82
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium?
The IUPAC name of 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium (CID 57245559) is 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium?
The canonical SMILES for 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium is CC(C[P+](=O)O)NC(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium?
The InChIKey is ADWQNZYYMLIKJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N2O3P/c1-4(3-11(9)10)7-5(8)2-6/h4H,2-3,6H2,1H3,(H-,7,8,9,10)/p+1.
What are the key properties of 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium?
2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium has a molecular weight of 179.14 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]propyl-hydroxy-oxophosphanium is sourced from PubChem (CID 57245559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).