ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate

C8H14N4O2 — CID 114995528

IUPACethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C)[nH]c1N
InChIInChI=1S/C8H14N4O2/c1-3-14-6(13)4-10-8-7(9)11-5(2)12-8/h10H,3-4,9H2,1-2H3,(H,11,12)
InChIKeyDUJWOQQRKUVCLB-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.28
Rot. Bonds4

About ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate

ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate (PubChem CID 114995528) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
PubChem CID114995528
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C)[nH]c1N
InChIInChI=1S/C8H14N4O2/c1-3-14-6(13)4-10-8-7(9)11-5(2)12-8/h10H,3-4,9H2,1-2H3,(H,11,12)
InChIKeyDUJWOQQRKUVCLB-UHFFFAOYSA-N
XLogP0.28
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide
CID 82239157
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-methylpropanamide
CID 114998598
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
CID 114999049
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
ethyl 5-amino-2-(dimethylamino)-6-[(2-ethoxy-2-oxoethyl)amino]pyrimidine-4-carboxylate
CID 171383901
ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80789523
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
CID 80993875
ethyl 2-[(5-amino-3-methylisoquinolin-1-yl)amino]acetate
CID 82570776
ethyl 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]acetate
CID 14847074
ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
CID 102761686
ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate
CID 61097642

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate (CID 114995528) is ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate is CCOC(=O)CNc1nc(C)[nH]c1N.
What is the InChIKey of ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate?
The InChIKey is DUJWOQQRKUVCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-14-6(13)4-10-8-7(9)11-5(2)12-8/h10H,3-4,9H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate?
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate has a molecular weight of 198.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate is sourced from PubChem (CID 114995528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).