(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium

C6H12N2O4P+ — CID 57088772

IUPAC(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium
SMILESNCC(=O)CO[P+](=O)CC(=O)CN
InChIInChI=1S/C6H12N2O4P/c7-1-5(9)3-12-13(11)4-6(10)2-8/h1-4,7-8H2/q+1
InChIKeyHIUVRQYMOWRQCS-UHFFFAOYSA-N
MW207.15 g/mol
LogP-1.20
Rot. Bonds7

About (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium

(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium (PubChem CID 57088772) has the molecular formula C6H12N2O4P+ and a molecular weight of 207.15 g/mol. Its IUPAC name is (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium.

Molecular Properties

Compound Name(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium
PubChem CID57088772
Molecular FormulaC6H12N2O4P+
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium
SMILESNCC(=O)CO[P+](=O)CC(=O)CN
InChIInChI=1S/C6H12N2O4P/c7-1-5(9)3-12-13(11)4-6(10)2-8/h1-4,7-8H2/q+1
InChIKeyHIUVRQYMOWRQCS-UHFFFAOYSA-N
XLogP-1.20
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-oxopropoxy)-hydroxy-oxophosphanium
CID 88694405
(3-amino-2-oxopropyl) acetate
CID 22165502
ethoxy-oxo-(2-oxopropyl)phosphanium
CID 90454879
acetic acid;1-amino-3-(3-amino-2-oxopropoxy)peroxypropan-2-one
CID 174645234
1-amino-3-propoxypropan-2-one
CID 116548438
2-(3-amino-2-oxopropoxy)-N-methylacetamide
CID 59513074
1-amino-3-hydroxypropan-2-one
CID 10909488
2-aminoacetamide;methane
CID 174826964
2-aminoacetamide;dihydrobromide
CID 20567050
2-(15N)azanylacetamide;hydrochloride
CID 131708744
bis(2-amino-2-oxoethyl) oxalate
CID 91566906
bis(2-aminoacetyl) oxalate
CID 88769554

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium?
The IUPAC name of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium (CID 57088772) is (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium.
What is the SMILES notation for (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium?
The canonical SMILES for (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium is NCC(=O)CO[P+](=O)CC(=O)CN.
What is the InChIKey of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium?
The InChIKey is HIUVRQYMOWRQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4P/c7-1-5(9)3-12-13(11)4-6(10)2-8/h1-4,7-8H2/q+1.
What are the key properties of (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium?
(3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium has a molecular weight of 207.15 g/mol, XLogP of -1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropoxy)-(3-amino-2-oxopropyl)-oxophosphanium is sourced from PubChem (CID 57088772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).