[2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium

C6H9NO7P+ — CID 25195299

IUPAC[2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium
SMILESO=C(O)C[C@H](NC(=O)C[P+](=O)O)C(=O)O
InChIInChI=1S/C6H8NO7P/c8-4(2-15(13)14)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H3-,7,8,9,10,11,12,13,14)/p+1/t3-/m0/s1
InChIKeyNBIQYCVMBICSHU-VKHMYHEASA-O
MW238.11 g/mol
LogP-1.23
Rot. Bonds6

About [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium

[2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium (PubChem CID 25195299) has the molecular formula C6H9NO7P+ and a molecular weight of 238.11 g/mol. Its IUPAC name is [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium
PubChem CID25195299
Molecular FormulaC6H9NO7P+
Molecular Weight238.11 g/mol
Exact Mass238.01
IUPAC Name[2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium
SMILESO=C(O)C[C@H](NC(=O)C[P+](=O)O)C(=O)O
InChIInChI=1S/C6H8NO7P/c8-4(2-15(13)14)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H3-,7,8,9,10,11,12,13,14)/p+1/t3-/m0/s1
InChIKeyNBIQYCVMBICSHU-VKHMYHEASA-O
XLogP-1.23
TPSA141.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium?
The IUPAC name of [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium (CID 25195299) is [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium?
The canonical SMILES for [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium is O=C(O)C[C@H](NC(=O)C[P+](=O)O)C(=O)O.
What is the InChIKey of [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium?
The InChIKey is NBIQYCVMBICSHU-VKHMYHEASA-O. The full InChI is InChI=1S/C6H8NO7P/c8-4(2-15(13)14)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H3-,7,8,9,10,11,12,13,14)/p+1/t3-/m0/s1.
What are the key properties of [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium?
[2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium has a molecular weight of 238.11 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 25195299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).