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

C15H17N3O4 — CID 119217397

IUPAC2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2c(=O)[nH]c3ccccc32)CCC1
InChIInChI=1S/C15H17N3O4/c19-12(17-15(6-3-7-15)8-13(20)21)9-18-11-5-2-1-4-10(11)16-14(18)22/h1-2,4-5H,3,6-9H2,(H,16,22)(H,17,19)(H,20,21)
InChIKeyJHENALFRRFWEBH-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.84
Rot. Bonds5

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

2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119217397) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID119217397
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2c(=O)[nH]c3ccccc32)CCC1
InChIInChI=1S/C15H17N3O4/c19-12(17-15(6-3-7-15)8-13(20)21)9-18-11-5-2-1-4-10(11)16-14(18)22/h1-2,4-5H,3,6-9H2,(H,16,22)(H,17,19)(H,20,21)
InChIKeyJHENALFRRFWEBH-UHFFFAOYSA-N
XLogP0.84
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid (CID 119217397) is 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Cn2c(=O)[nH]c3ccccc32)CCC1.
What is the InChIKey of 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is JHENALFRRFWEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-12(17-15(6-3-7-15)8-13(20)21)9-18-11-5-2-1-4-10(11)16-14(18)22/h1-2,4-5H,3,6-9H2,(H,16,22)(H,17,19)(H,20,21).
What are the key properties of 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).