2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid

C14H17N3O5 — CID 119189078

IUPAC2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H17N3O5/c1-22-7-6-16(9-13(19)20)12(18)8-17-11-5-3-2-4-10(11)15-14(17)21/h2-5H,6-9H2,1H3,(H,15,21)(H,19,20)
InChIKeyAFZHGLWTTSGIFY-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.11
Rot. Bonds7

About 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid

2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid (PubChem CID 119189078) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
PubChem CID119189078
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H17N3O5/c1-22-7-6-16(9-13(19)20)12(18)8-17-11-5-3-2-4-10(11)15-14(17)21/h2-5H,6-9H2,1H3,(H,15,21)(H,19,20)
InChIKeyAFZHGLWTTSGIFY-UHFFFAOYSA-N
XLogP-0.11
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119194768
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119228065
2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119189540
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 109388141
N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97273224
2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid
CID 79271874
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
2-[2-methoxyethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetic acid
CID 119348011
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
CID 70523740
CID 70523740

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid (CID 119189078) is 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is AFZHGLWTTSGIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-22-7-6-16(9-13(19)20)12(18)8-17-11-5-3-2-4-10(11)15-14(17)21/h2-5H,6-9H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 307.31 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119189078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).