4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

C14H22N4O3 — CID 79529492

IUPAC4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1cnc[nH]1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c19-13(20)11-3-1-10(2-4-11)7-17-14(21)16-6-5-12-8-15-9-18-12/h8-11H,1-7H2,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyLYLGYZWULCGPBC-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.14
Rot. Bonds6

About 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79529492) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79529492
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1cnc[nH]1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c19-13(20)11-3-1-10(2-4-11)7-17-14(21)16-6-5-12-8-15-9-18-12/h8-11H,1-7H2,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyLYLGYZWULCGPBC-UHFFFAOYSA-N
XLogP1.14
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic 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-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
CID 65231536
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665371
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
(2R)-1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 65231667
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
4-[(but-3-enylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963932

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 79529492) is 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is O=C(NCCc1cnc[nH]1)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is LYLGYZWULCGPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-13(20)11-3-1-10(2-4-11)7-17-14(21)16-6-5-12-8-15-9-18-12/h8-11H,1-7H2,(H,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79529492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).