2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid

C11H19N3O2 — CID 62735689

IUPAC2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1nccn1CC)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-5-9(11(15)16)13-8-10-12-6-7-14(10)4-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyRJLOMPKUGAEUGJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.25
Rot. Bonds7

About 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid

2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid (PubChem CID 62735689) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid
PubChem CID62735689
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1nccn1CC)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-3-5-9(11(15)16)13-8-10-12-6-7-14(10)4-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyRJLOMPKUGAEUGJ-UHFFFAOYSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688184
ethyl 2-[(1-ethylimidazol-2-yl)methyl]pentanoate
CID 83043651
2-(ethylamino)-4-(2-methylimidazol-1-yl)butanoic acid
CID 63038987
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652
2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 109380397
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
CID 43631568
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid (CID 62735689) is 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid is CCCC(NCc1nccn1CC)C(=O)O.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid?
The InChIKey is RJLOMPKUGAEUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-9(11(15)16)13-8-10-12-6-7-14(10)4-2/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid?
2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 62735689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).