bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium

C14H24N2O9P+ — CID 175609456

IUPACbis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
SMILESCCOC(=O)CC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@@H](N)CCC(=O)OCC
InChIInChI=1S/C14H24N2O9P/c1-3-22-11(17)7-5-9(15)13(19)24-26(21)25-14(20)10(16)6-8-12(18)23-4-2/h9-10H,3-8,15-16H2,1-2H3/q+1/t9-,10-/m0/s1
InChIKeyGERCGLQFBREERU-UWVGGRQHSA-N
MW395.33 g/mol
LogP0.07
Rot. Bonds12

About bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium

bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium (PubChem CID 175609456) has the molecular formula C14H24N2O9P+ and a molecular weight of 395.33 g/mol. Its IUPAC name is bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
PubChem CID175609456
Molecular FormulaC14H24N2O9P+
Molecular Weight395.33 g/mol
Exact Mass395.12
IUPAC Namebis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
SMILESCCOC(=O)CC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@@H](N)CCC(=O)OCC
InChIInChI=1S/C14H24N2O9P/c1-3-22-11(17)7-5-9(15)13(19)24-26(21)25-14(20)10(16)6-8-12(18)23-4-2/h9-10H,3-8,15-16H2,1-2H3/q+1/t9-,10-/m0/s1
InChIKeyGERCGLQFBREERU-UWVGGRQHSA-N
XLogP0.07
TPSA174.31 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
CID 175609455
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
CID 91975022
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
ethyl 4-amino-5-fluoropentanoate
CID 13477556
diethyl 4-iodoheptanedioate
CID 102577942
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
ethyl 4-amino-5-fluoropentanoate;hydrochloride
CID 105452534
bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
CID 174588325
diethyl (2S)-2-methylpentanedioate
CID 89120789
diethyl 4-acetylheptanedioate
CID 15669145

Frequently Asked Questions

What is the IUPAC name of bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium?
The IUPAC name of bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium (CID 175609456) is bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium.
What is the SMILES notation for bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium?
The canonical SMILES for bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium is CCOC(=O)CC[C@H](N)C(=O)O[P+](=O)OC(=O)[C@@H](N)CCC(=O)OCC.
What is the InChIKey of bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium?
The InChIKey is GERCGLQFBREERU-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H24N2O9P/c1-3-22-11(17)7-5-9(15)13(19)24-26(21)25-14(20)10(16)6-8-12(18)23-4-2/h9-10H,3-8,15-16H2,1-2H3/q+1/t9-,10-/m0/s1.
What are the key properties of bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium?
bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium has a molecular weight of 395.33 g/mol, XLogP of 0.07, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium is sourced from PubChem (CID 175609456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).