ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride

C8H14ClN3O2 — CID 44891077

IUPACethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1nccn1C.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-3-13-8(12)6(9)7-10-4-5-11(7)2;/h4-6H,3,9H2,1-2H3;1H
InChIKeyHRMLYZPJOVEUMR-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.40
Rot. Bonds3

About ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride

ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride (PubChem CID 44891077) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
PubChem CID44891077
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Nameethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1nccn1C.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-3-13-8(12)6(9)7-10-4-5-11(7)2;/h4-6H,3,9H2,1-2H3;1H
InChIKeyHRMLYZPJOVEUMR-UHFFFAOYSA-N
XLogP0.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
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1-(1-methylimidazol-2-yl)propane-1-thiol
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(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
ethyl 2-[(1-methylimidazol-2-yl)amino]propanoate
CID 62133474
ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
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CID 82922287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride (CID 44891077) is ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride is CCOC(=O)C(N)c1nccn1C.Cl.
What is the InChIKey of ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride?
The InChIKey is HRMLYZPJOVEUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-3-13-8(12)6(9)7-10-4-5-11(7)2;/h4-6H,3,9H2,1-2H3;1H.
What are the key properties of ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride?
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride is sourced from PubChem (CID 44891077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).