2-acetamidoacetic acid;dihydroxy(oxo)phosphanium

C4H9NO6P+ — CID 87990829

IUPAC2-acetamidoacetic acid;dihydroxy(oxo)phosphanium
SMILESCC(=O)NCC(=O)O.O=[P+](O)O
InChIInChI=1S/C4H7NO3.HO3P/c1-3(6)5-2-4(7)8;1-4(2)3/h2H2,1H3,(H,5,6)(H,7,8);(H-,1,2,3)/p+1
InChIKeyMGGBOBBEFQRNNM-UHFFFAOYSA-O
MW198.09 g/mol
LogP-1.16
Rot. Bonds2

About 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium

2-acetamidoacetic acid;dihydroxy(oxo)phosphanium (PubChem CID 87990829) has the molecular formula C4H9NO6P+ and a molecular weight of 198.09 g/mol. Its IUPAC name is 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name2-acetamidoacetic acid;dihydroxy(oxo)phosphanium
PubChem CID87990829
Molecular FormulaC4H9NO6P+
Molecular Weight198.09 g/mol
Exact Mass198.02
IUPAC Name2-acetamidoacetic acid;dihydroxy(oxo)phosphanium
SMILESCC(=O)NCC(=O)O.O=[P+](O)O
InChIInChI=1S/C4H7NO3.HO3P/c1-3(6)5-2-4(7)8;1-4(2)3/h2H2,1H3,(H,5,6)(H,7,8);(H-,1,2,3)/p+1
InChIKeyMGGBOBBEFQRNNM-UHFFFAOYSA-O
XLogP-1.16
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
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CID 174885803
2-acetamidoacetic acid;1,2,3-trimethylbenzene
CID 67885063
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
[2-(carboxymethylamino)-2-oxoethyl]azanium;phosphenic acid
CID 139053959
2-(2,2-diacetamidopropanoylamino)acetic acid
CID 82254402
2-acetamidoacetate;chromium(3+)
CID 161474806
2-[[(E)-pent-2-en-2-yl]amino]acetic acid
CID 155297764
2-aminoacetic acid;2-(ethanethioylamino)acetic acid
CID 174585763
N-(2-oxo-3-sulfanylpropyl)acetamide
CID 57187286
2-(carbamoylamino)acetic acid
CID 87288569

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium?
The IUPAC name of 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium (CID 87990829) is 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium?
The canonical SMILES for 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium is CC(=O)NCC(=O)O.O=[P+](O)O.
What is the InChIKey of 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium?
The InChIKey is MGGBOBBEFQRNNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7NO3.HO3P/c1-3(6)5-2-4(7)8;1-4(2)3/h2H2,1H3,(H,5,6)(H,7,8);(H-,1,2,3)/p+1.
What are the key properties of 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium?
2-acetamidoacetic acid;dihydroxy(oxo)phosphanium has a molecular weight of 198.09 g/mol, XLogP of -1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoacetic acid;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 87990829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).