4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C12H21N3O2 — CID 64703484

IUPAC4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCc1nccn1C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-5-10-14-6-7-15(10)9(2)8-12(3,13-4)11(16)17/h6-7,9,13H,5,8H2,1-4H3,(H,16,17)
InChIKeyBFMPINQSCOATTH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.46
Rot. Bonds6

About 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid

4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64703484) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64703484
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCc1nccn1C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-5-10-14-6-7-15(10)9(2)8-12(3,13-4)11(16)17/h6-7,9,13H,5,8H2,1-4H3,(H,16,17)
InChIKeyBFMPINQSCOATTH-UHFFFAOYSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid
CID 64707106
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64727550
2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid
CID 64704049
2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
CID 62442957
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64810100
4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703858
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutanoic acid
CID 79801645
2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid
CID 165495562
2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
CID 63810997
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
CID 64727747
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 64703484) is 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CCc1nccn1C(C)CC(C)(NC)C(=O)O.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is BFMPINQSCOATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10-14-6-7-15(10)9(2)8-12(3,13-4)11(16)17/h6-7,9,13H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 239.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64703484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).