2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid

C14H17N3O3 — CID 61022250

IUPAC2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCn1cnc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-2-16(9-14(19)20)13(18)7-8-17-10-15-11-5-3-4-6-12(11)17/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyCZOJHZUWFTWURZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.36
Rot. Bonds6

About 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid

2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid (PubChem CID 61022250) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid
PubChem CID61022250
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCn1cnc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-2-16(9-14(19)20)13(18)7-8-17-10-15-11-5-3-4-6-12(11)17/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyCZOJHZUWFTWURZ-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(benzimidazol-1-yl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
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2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
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3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
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3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid?
The IUPAC name of 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid (CID 61022250) is 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)CCn1cnc2ccccc21.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid?
The InChIKey is CZOJHZUWFTWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-16(9-14(19)20)13(18)7-8-17-10-15-11-5-3-4-6-12(11)17/h3-6,10H,2,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid?
2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid is sourced from PubChem (CID 61022250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).