2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid

C11H17N3O3 — CID 82560173

IUPAC2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1CCN1CCOCC1
InChIInChI=1S/C11H17N3O3/c15-11(16)9-14-4-2-12-10(14)1-3-13-5-7-17-8-6-13/h2,4H,1,3,5-9H2,(H,15,16)
InChIKeyGBIFHBWKLKYCSS-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds5

About 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid

2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid (PubChem CID 82560173) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
PubChem CID82560173
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1CCN1CCOCC1
InChIInChI=1S/C11H17N3O3/c15-11(16)9-14-4-2-12-10(14)1-3-13-5-7-17-8-6-13/h2,4H,1,3,5-9H2,(H,15,16)
InChIKeyGBIFHBWKLKYCSS-UHFFFAOYSA-N
XLogP-0.16
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]acetic acid
CID 69289077
4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
CID 82558293
methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate
CID 82561053
2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558301
3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
(NE)-N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methylidene]hydroxylamine
CID 140737146
N-methyl-2-[2-(morpholin-4-ylmethyl)imidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126837087
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
CID 167876752
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid (CID 82560173) is 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid is O=C(O)Cn1ccnc1CCN1CCOCC1.
What is the InChIKey of 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid?
The InChIKey is GBIFHBWKLKYCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-11(16)9-14-4-2-12-10(14)1-3-13-5-7-17-8-6-13/h2,4H,1,3,5-9H2,(H,15,16).
What are the key properties of 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid?
2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid has a molecular weight of 239.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82560173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).