2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate

C11H16N2O6 — CID 54390786

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)OCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O6/c12-8(7-14)11(17)19-6-5-18-4-3-13-9(15)1-2-10(13)16/h1-2,8,14H,3-7,12H2/t8-/m0/s1
InChIKeyVGMHAOJRDYWUCR-QMMMGPOBSA-N
MW272.26 g/mol
LogP-2.21
Rot. Bonds8

About 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate

2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate (PubChem CID 54390786) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate
PubChem CID54390786
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)OCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O6/c12-8(7-14)11(17)19-6-5-18-4-3-13-9(15)1-2-10(13)16/h1-2,8,14H,3-7,12H2/t8-/m0/s1
InChIKeyVGMHAOJRDYWUCR-QMMMGPOBSA-N
XLogP-2.21
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

19-Maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecanoic Acid
CID 51340949
Mal-PEG2-acid
CID 68028837
Mal-PEG4-Acid
CID 21881063
3-[2-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]propanoic acid
CID 24768092
Mal-amido-PEG8-acid
CID 51340955
2-[3-[2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethoxy]propanoylamino]acetic acid
CID 59709133
Maleimide-NH-PEG1-CH2CH2COOH
CID 59709138
3-[2-[2-[2-[2-[2-[2-[3-(2,5-Dioxopyrrol-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 66802547
Maleimido-tri(ethylene glycol)-propionic acid
CID 70980870
Mal-amido-PEG6-acid
CID 75535070
Mal-amido-PEG10-acid
CID 102514752
3-[2-[2-[2-[2-[(2,5-Dioxopyrrol-1-yl)methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118671537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate (CID 54390786) is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate is N[C@@H](CO)C(=O)OCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate?
The InChIKey is VGMHAOJRDYWUCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O6/c12-8(7-14)11(17)19-6-5-18-4-3-13-9(15)1-2-10(13)16/h1-2,8,14H,3-7,12H2/t8-/m0/s1.
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate?
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate has a molecular weight of 272.26 g/mol, XLogP of -2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (2S)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 54390786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).