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

C10H17N3O2 — CID 62818569

IUPAC2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCCn1ccnc1N(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-5-13-7-6-11-9(13)12(4)10(2,3)8(14)15/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeySSTDLNYOGXGWNX-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.20
Rot. Bonds4

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

2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 62818569) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid
PubChem CID62818569
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCCn1ccnc1N(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-5-13-7-6-11-9(13)12(4)10(2,3)8(14)15/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeySSTDLNYOGXGWNX-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652850
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 79052166
2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
CID 65243411
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484406
[1-(2,2-difluoroethyl)imidazol-2-yl]-methylcarbamic acid
CID 121351099
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine
CID 104555424
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
CID 63975640

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid (CID 62818569) is 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid is CCn1ccnc1N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is SSTDLNYOGXGWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-13-7-6-11-9(13)12(4)10(2,3)8(14)15/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid?
2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).