ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate

C10H17N3O2 — CID 83439070

IUPACethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
SMILESCCOC(=O)C(N)c1nccn1C(C)C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8(11)9-12-5-6-13(9)7(2)3/h5-8H,4,11H2,1-3H3
InChIKeyZUKNJZFJOWRGFA-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.03
Rot. Bonds4

About ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate

ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate (PubChem CID 83439070) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
PubChem CID83439070
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
SMILESCCOC(=O)C(N)c1nccn1C(C)C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8(11)9-12-5-6-13(9)7(2)3/h5-8H,4,11H2,1-3H3
InChIKeyZUKNJZFJOWRGFA-UHFFFAOYSA-N
XLogP1.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
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ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
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2-[1-(1-ethoxy-1-oxopropan-2-yl)imidazol-2-yl]sulfanylacetic acid
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ethyl 2-[(1-methylimidazol-2-yl)amino]propanoate
CID 62133474
2-heptacosan-9-yl-1-propan-2-ylimidazole
CID 69405884
2-(1-chloroethyl)-1-propan-2-ylimidazole
CID 71632944
ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate
CID 177061168
ethyl 2-[(1-ethylimidazol-2-yl)methyl]pentanoate
CID 83043651
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
1-propan-2-yl-2-tridecan-3-ylimidazole
CID 69408158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate (CID 83439070) is ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate is CCOC(=O)C(N)c1nccn1C(C)C.
What is the InChIKey of ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate?
The InChIKey is ZUKNJZFJOWRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)8(11)9-12-5-6-13(9)7(2)3/h5-8H,4,11H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate?
ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate has a molecular weight of 211.26 g/mol, XLogP of 1.03, 4 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-propan-2-ylimidazol-2-yl)acetate is sourced from PubChem (CID 83439070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).