2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid

C11H17N3O4 — CID 121498187

IUPAC2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cn1ccnc1C
InChIInChI=1S/C11H17N3O4/c1-9-12-3-4-13(9)7-10(15)14(5-6-18-2)8-11(16)17/h3-4H,5-8H2,1-2H3,(H,16,17)
InChIKeyNOIOUYNMFFFKCZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.25
Rot. Bonds7

About 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid

2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid (PubChem CID 121498187) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid
PubChem CID121498187
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cn1ccnc1C
InChIInChI=1S/C11H17N3O4/c1-9-12-3-4-13(9)7-10(15)14(5-6-18-2)8-11(16)17/h3-4H,5-8H2,1-2H3,(H,16,17)
InChIKeyNOIOUYNMFFFKCZ-UHFFFAOYSA-N
XLogP-0.25
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid (CID 121498187) is 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)Cn1ccnc1C.
What is the InChIKey of 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is NOIOUYNMFFFKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-9-12-3-4-13(9)7-10(15)14(5-6-18-2)8-11(16)17/h3-4H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid?
2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 121498187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).