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

C11H17N3O3 — CID 66434098

IUPAC2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCn2ccnc2)CCO1
InChIInChI=1S/C11H17N3O3/c15-11(16)7-10-8-13(5-6-17-10)3-4-14-2-1-12-9-14/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyJSSYRINOLVTCOG-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.06
Rot. Bonds5

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

2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid (PubChem CID 66434098) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
PubChem CID66434098
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCn2ccnc2)CCO1
InChIInChI=1S/C11H17N3O3/c15-11(16)7-10-8-13(5-6-17-10)3-4-14-2-1-12-9-14/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyJSSYRINOLVTCOG-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 81213787
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
CID 66434649
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid (CID 66434098) is 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(CCn2ccnc2)CCO1.
What is the InChIKey of 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid?
The InChIKey is JSSYRINOLVTCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-11(16)7-10-8-13(5-6-17-10)3-4-14-2-1-12-9-14/h1-2,9-10H,3-8H2,(H,15,16).
What are the key properties of 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid?
2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).