methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate

C11H19N3O2 — CID 66162019

IUPACmethyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
SMILESCCNC(C(=O)OC)c1cncn1C(C)C
InChIInChI=1S/C11H19N3O2/c1-5-13-10(11(15)16-4)9-6-12-7-14(9)8(2)3/h6-8,10,13H,5H2,1-4H3
InChIKeyYIZYIXQOOBYAMD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.29
Rot. Bonds5

About methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate

methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate (PubChem CID 66162019) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
PubChem CID66162019
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
SMILESCCNC(C(=O)OC)c1cncn1C(C)C
InChIInChI=1S/C11H19N3O2/c1-5-13-10(11(15)16-4)9-6-12-7-14(9)8(2)3/h6-8,10,13H,5H2,1-4H3
InChIKeyYIZYIXQOOBYAMD-UHFFFAOYSA-N
XLogP1.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66163023
2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide
CID 66163621
methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162021
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163422
ethyl 2-formamido-3-hydroxy-3-(3-propan-2-ylimidazol-4-yl)propanoate
CID 66205117
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163017
methyl 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66118172
ethyl 2-[(3-propan-2-ylimidazol-4-yl)methylamino]acetate
CID 66132120
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66164809
methyl 2-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanoate
CID 102969607
methyl 2-(butan-2-ylamino)-2-(3-propylimidazol-4-yl)acetate
CID 66131426

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The IUPAC name of methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate (CID 66162019) is methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The canonical SMILES for methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate is CCNC(C(=O)OC)c1cncn1C(C)C.
What is the InChIKey of methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The InChIKey is YIZYIXQOOBYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-13-10(11(15)16-4)9-6-12-7-14(9)8(2)3/h6-8,10,13H,5H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate has a molecular weight of 225.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate is sourced from PubChem (CID 66162019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).