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

C13H21N3O2 — CID 64700993

IUPAC2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
SMILESCCn1ccnc1NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-16-9-8-14-12(16)15-13(10-11(17)18)6-4-3-5-7-13/h8-9H,2-7,10H2,1H3,(H,14,15)(H,17,18)
InChIKeyTZPUOAWLNIQSNK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds5

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

2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid (PubChem CID 64700993) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
PubChem CID64700993
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
SMILESCCn1ccnc1NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-16-9-8-14-12(16)15-13(10-11(17)18)6-4-3-5-7-13/h8-9H,2-7,10H2,1H3,(H,14,15)(H,17,18)
InChIKeyTZPUOAWLNIQSNK-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-ethylimidazol-2-yl)amino]cycloheptane-1-carboxylic acid
CID 62137475
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
CID 65243411
2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
CID 104729585
3-[[1-(chloromethyl)cyclohexyl]amino]-1-ethylpyrazin-2-one
CID 65028801
1-[[(1-ethylimidazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 65110887
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64702363
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine
CID 65028463
2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64670572
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid (CID 64700993) is 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid is CCn1ccnc1NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid?
The InChIKey is TZPUOAWLNIQSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16-9-8-14-12(16)15-13(10-11(17)18)6-4-3-5-7-13/h8-9H,2-7,10H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid?
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64700993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).