ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate

C10H17N3O2 — CID 114719017

IUPACethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1cncc1CCN
InChIInChI=1S/C10H17N3O2/c1-2-15-10(14)4-6-13-8-12-7-9(13)3-5-11/h7-8H,2-6,11H2,1H3
InChIKeyUNTHUONQPYUYOU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.34
Rot. Bonds6

About ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate

ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate (PubChem CID 114719017) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
PubChem CID114719017
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1cncc1CCN
InChIInChI=1S/C10H17N3O2/c1-2-15-10(14)4-6-13-8-12-7-9(13)3-5-11/h7-8H,2-6,11H2,1H3
InChIKeyUNTHUONQPYUYOU-UHFFFAOYSA-N
XLogP0.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[5-(chloromethyl)imidazol-1-yl]butanoate;hydrochloride
CID 174382996
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
ethyl 3-(6-oxopyrimidin-1-yl)propanoate
CID 63770580
2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
CID 114715967
ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate
CID 66153811
ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate
CID 114719023
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577
ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114719027
ethyl 3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanoate
CID 114719022
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate?
The IUPAC name of ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate (CID 114719017) is ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate?
The canonical SMILES for ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate is CCOC(=O)CCn1cncc1CCN.
What is the InChIKey of ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate?
The InChIKey is UNTHUONQPYUYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-15-10(14)4-6-13-8-12-7-9(13)3-5-11/h7-8H,2-6,11H2,1H3.
What are the key properties of ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate?
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate is sourced from PubChem (CID 114719017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).