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

C14H15N3O4 — CID 119194768

IUPAC2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1c(=O)[nH]c2ccccc21)C1CC1
InChIInChI=1S/C14H15N3O4/c18-12(16(8-13(19)20)9-5-6-9)7-17-11-4-2-1-3-10(11)15-14(17)21/h1-4,9H,5-8H2,(H,15,21)(H,19,20)
InChIKeyUSVAPLQKIDTKAI-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.41
Rot. Bonds5

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

2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid (PubChem CID 119194768) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
PubChem CID119194768
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1c(=O)[nH]c2ccccc21)C1CC1
InChIInChI=1S/C14H15N3O4/c18-12(16(8-13(19)20)9-5-6-9)7-17-11-4-2-1-3-10(11)15-14(17)21/h1-4,9H,5-8H2,(H,15,21)(H,19,20)
InChIKeyUSVAPLQKIDTKAI-UHFFFAOYSA-N
XLogP0.41
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 109388141
2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119189078
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 109400298
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119228065
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119453931
2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
CID 119195409
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid (CID 119194768) is 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cn1c(=O)[nH]c2ccccc21)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is USVAPLQKIDTKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12(16(8-13(19)20)9-5-6-9)7-17-11-4-2-1-3-10(11)15-14(17)21/h1-4,9H,5-8H2,(H,15,21)(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119194768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).