bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium

C6H12N2O5P+ — CID 91574079

IUPACbis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium
SMILESC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@H](C)N
InChIInChI=1S/C6H12N2O5P/c1-3(7)5(9)12-14(11)13-6(10)4(2)8/h3-4H,7-8H2,1-2H3/q+1/t3-,4-/m0/s1
InChIKeyMWQHABUEIHQEJW-IMJSIDKUSA-N
MW223.14 g/mol
LogP-0.58
Rot. Bonds4

About bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium

bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium (PubChem CID 91574079) has the molecular formula C6H12N2O5P+ and a molecular weight of 223.14 g/mol. Its IUPAC name is bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium
PubChem CID91574079
Molecular FormulaC6H12N2O5P+
Molecular Weight223.14 g/mol
Exact Mass223.05
IUPAC Namebis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium
SMILESC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@H](C)N
InChIInChI=1S/C6H12N2O5P/c1-3(7)5(9)12-14(11)13-6(10)4(2)8/h3-4H,7-8H2,1-2H3/q+1/t3-,4-/m0/s1
InChIKeyMWQHABUEIHQEJW-IMJSIDKUSA-N
XLogP-0.58
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

L-Serine-phosphoethanolamine
CID 25201147
2-Ammonio-3-{[(2-ammonioethoxy)phosphinato]oxy}propanoate
CID 25201528
D-Alanine, anhydride with phosphoric acid (1:1)
CID 195578
(1-Oxo-1-phosphonooxypropan-2-yl)azanium;2,2,2-trifluoroacetate
CID 134977895
Phosphono 2-aminopropanoate
CID 17903691
phosphono (2S)-2-(methoxyamino)propanoate
CID 21349700
phosphono (2S)-2-aminopropanoate
CID 53885856
Bis[(2-aminoacetyl)oxy]-oxophosphanium
CID 56980530
L-Glufosinate Ammonium Salt
CID 137333845
Azanium;2-amino-4-[methyl(oxido)phosphoryl]butanoate;hydron
CID 162393569
l-Alaninium dihydrogen monophosphate
CID 129650986
methyl (2S)-2-(dimethoxyphosphorylamino)propanoate
CID 176436822

Frequently Asked Questions

What is the IUPAC name of bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium?
The IUPAC name of bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium (CID 91574079) is bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium.
What is the SMILES notation for bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium?
The canonical SMILES for bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium is C[C@H](N)C(=O)O[P+](=O)OC(=O)[C@H](C)N.
What is the InChIKey of bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium?
The InChIKey is MWQHABUEIHQEJW-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H12N2O5P/c1-3(7)5(9)12-14(11)13-6(10)4(2)8/h3-4H,7-8H2,1-2H3/q+1/t3-,4-/m0/s1.
What are the key properties of bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium?
bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium has a molecular weight of 223.14 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium is sourced from PubChem (CID 91574079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).