2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid

C11H13N3O2 — CID 82024672

IUPAC2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(CN)nc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-7(11(15)16)14-9-5-3-2-4-8(9)13-10(14)6-12/h2-5,7H,6,12H2,1H3,(H,15,16)
InChIKeyFRFWYULYMYMDNL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds3

About 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid

2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid (PubChem CID 82024672) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
PubChem CID82024672
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1c(CN)nc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-7(11(15)16)14-9-5-3-2-4-8(9)13-10(14)6-12/h2-5,7H,6,12H2,1H3,(H,15,16)
InChIKeyFRFWYULYMYMDNL-UHFFFAOYSA-N
XLogP1.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82024733
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029
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CID 94671511
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
2-[2-(aminomethyl)-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 82024958
2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144856
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
2-methylpropyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]propanoate
CID 82161922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid (CID 82024672) is 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid is CC(C(=O)O)n1c(CN)nc2ccccc21.
What is the InChIKey of 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is FRFWYULYMYMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(11(15)16)14-9-5-3-2-4-8(9)13-10(14)6-12/h2-5,7H,6,12H2,1H3,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid?
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82024672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).