(1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium

C5H6NO8P — CID 175861254

IUPAC(1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium
SMILESNC(=O)C(CC(=O)O)(O[P+](=O)[O-])C(=O)O
InChIInChI=1S/C5H6NO8P/c6-3(9)5(4(10)11,1-2(7)8)14-15(12)13/h1H2,(H2,6,9)(H,7,8)(H,10,11)
InChIKeyWIJVAYICGWJVQT-UHFFFAOYSA-N
MW239.08 g/mol
LogP-2.20
Rot. Bonds6

About (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium

(1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium (PubChem CID 175861254) has the molecular formula C5H6NO8P and a molecular weight of 239.08 g/mol. Its IUPAC name is (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium.

Molecular Properties

Compound Name(1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium
PubChem CID175861254
Molecular FormulaC5H6NO8P
Molecular Weight239.08 g/mol
Exact Mass238.98
IUPAC Name(1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium
SMILESNC(=O)C(CC(=O)O)(O[P+](=O)[O-])C(=O)O
InChIInChI=1S/C5H6NO8P/c6-3(9)5(4(10)11,1-2(7)8)14-15(12)13/h1H2,(H2,6,9)(H,7,8)(H,10,11)
InChIKeyWIJVAYICGWJVQT-UHFFFAOYSA-N
XLogP-2.20
TPSA167.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-carbamoylpentanedioic acid
CID 174790870
tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)
CID 159071635
2-tert-butyl-2-[(2-methylpropan-2-yl)oxy]butanedioic acid
CID 87791388
2-amino-2-hydroxybutanedioic acid
CID 10313218
2-phosphanylbutane-1,2,4-tricarboxylic acid
CID 15793163
2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87647310
3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
CID 141270736
trisodium;tris(3-carboxy-4-hydroxy-3-methoxy-4-oxobutanoate)
CID 173463365
ethane;2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173074280
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
1-(2,2,3-tricarboxypropanoyloxycarbonyl)ethane-1,1,2-tricarboxylic acid
CID 175339612
2-methylsulfanylpropane-1,2,3-tricarboxylic acid
CID 20771442

Frequently Asked Questions

What is the IUPAC name of (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium?
The IUPAC name of (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium (CID 175861254) is (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium.
What is the SMILES notation for (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium?
The canonical SMILES for (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium is NC(=O)C(CC(=O)O)(O[P+](=O)[O-])C(=O)O.
What is the InChIKey of (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium?
The InChIKey is WIJVAYICGWJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO8P/c6-3(9)5(4(10)11,1-2(7)8)14-15(12)13/h1H2,(H2,6,9)(H,7,8)(H,10,11).
What are the key properties of (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium?
(1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium has a molecular weight of 239.08 g/mol, XLogP of -2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium is sourced from PubChem (CID 175861254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).