2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid

C11H19N3O2 — CID 79789629

IUPAC2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid
SMILESCCC(C)(NCCn1ccnc1C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-11(3,10(15)16)13-6-8-14-7-5-12-9(14)2/h5,7,13H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyBOUXPUZBXBVVQE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds6

About 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid

2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid (PubChem CID 79789629) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid
PubChem CID79789629
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid
SMILESCCC(C)(NCCn1ccnc1C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-11(3,10(15)16)13-6-8-14-7-5-12-9(14)2/h5,7,13H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyBOUXPUZBXBVVQE-UHFFFAOYSA-N
XLogP1.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106175493
1-chloro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-3-amine
CID 106167089
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]butanamide;dihydrochloride
CID 119869283
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid
CID 79792692
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutanoic acid
CID 79801645
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
2-(ethylamino)-4-(2-methylimidazol-1-yl)butanoic acid
CID 63038987
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid (CID 79789629) is 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid is CCC(C)(NCCn1ccnc1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid?
The InChIKey is BOUXPUZBXBVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-11(3,10(15)16)13-6-8-14-7-5-12-9(14)2/h5,7,13H,4,6,8H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid?
2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylimidazol-1-yl)ethylamino]butanoic acid is sourced from PubChem (CID 79789629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).