2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid

C13H21N3O2 — CID 55039484

IUPAC2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid
SMILESCCn1ccnc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-16-9-8-14-13(16)15-11(12(17)18)10-6-4-3-5-7-10/h8-11H,2-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyQOLOGQGQDCETDY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.35
Rot. Bonds5

About 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid

2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid (PubChem CID 55039484) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid
PubChem CID55039484
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid
SMILESCCn1ccnc1NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-16-9-8-14-13(16)15-11(12(17)18)10-6-4-3-5-7-10/h8-11H,2-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyQOLOGQGQDCETDY-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid (CID 55039484) is 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid is CCn1ccnc1NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid?
The InChIKey is QOLOGQGQDCETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16-9-8-14-13(16)15-11(12(17)18)10-6-4-3-5-7-10/h8-11H,2-7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid?
2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1-ethylimidazol-2-yl)amino]acetic acid is sourced from PubChem (CID 55039484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).