4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C13H20N4O3 — CID 107497522

IUPAC4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESNCCn1cnc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C13H20N4O3/c14-5-6-17-7-11(15-8-17)12(18)16-10-3-1-9(2-4-10)13(19)20/h7-10H,1-6,14H2,(H,16,18)(H,19,20)
InChIKeyJNIHCTBAZSFNMT-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.22
Rot. Bonds5

About 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 107497522) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID107497522
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESNCCn1cnc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C13H20N4O3/c14-5-6-17-7-11(15-8-17)12(18)16-10-3-1-9(2-4-10)13(19)20/h7-10H,1-6,14H2,(H,16,18)(H,19,20)
InChIKeyJNIHCTBAZSFNMT-UHFFFAOYSA-N
XLogP0.22
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(2-aminoethyl)-N-(2-methylcyclopropyl)imidazole-4-carboxamide
CID 107498238
1-(2-aminoethyl)-N-(2-ethylcyclohexyl)imidazole-4-carboxamide
CID 107496463
1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide
CID 107499437
1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
CID 107496221
1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
CID 107496671
methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate
CID 18969489
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
CID 107501563
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 107496461
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 107497522) is 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is NCCn1cnc(C(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JNIHCTBAZSFNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-5-6-17-7-11(15-8-17)12(18)16-10-3-1-9(2-4-10)13(19)20/h7-10H,1-6,14H2,(H,16,18)(H,19,20).
What are the key properties of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107497522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).