2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid

C10H9N3O4 — CID 63913822

IUPAC2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H9N3O4/c14-9(15)4-17-13-10(16)6-1-2-7-8(3-6)12-5-11-7/h1-3,5H,4H2,(H,11,12)(H,13,16)(H,14,15)
InChIKeyAHUXSSYALNXFCR-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.31
Rot. Bonds4

About 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid

2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid (PubChem CID 63913822) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid
PubChem CID63913822
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H9N3O4/c14-9(15)4-17-13-10(16)6-1-2-7-8(3-6)12-5-11-7/h1-3,5H,4H2,(H,11,12)(H,13,16)(H,14,15)
InChIKeyAHUXSSYALNXFCR-UHFFFAOYSA-N
XLogP0.31
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920
N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
CID 113304625
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
2-(3H-benzimidazole-5-carbonylamino)-2-ethylbutanoic acid
CID 79806287
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid?
The IUPAC name of 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid (CID 63913822) is 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid.
What is the SMILES notation for 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid?
The canonical SMILES for 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid is O=C(O)CONC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid?
The InChIKey is AHUXSSYALNXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c14-9(15)4-17-13-10(16)6-1-2-7-8(3-6)12-5-11-7/h1-3,5H,4H2,(H,11,12)(H,13,16)(H,14,15).
What are the key properties of 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid?
2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid has a molecular weight of 235.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid is sourced from PubChem (CID 63913822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).