4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 54595195

IUPAC4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccnc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c17-12(5-7-16-8-6-14-9-16)15-11-3-1-10(2-4-11)13(18)19/h6,8-11H,1-5,7H2,(H,15,17)(H,18,19)
InChIKeyUWVFSZNTDMTKPA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds5

About 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 54595195) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID54595195
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccnc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c17-12(5-7-16-8-6-14-9-16)15-11-3-1-10(2-4-11)13(18)19/h6,8-11H,1-5,7H2,(H,15,17)(H,18,19)
InChIKeyUWVFSZNTDMTKPA-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)cyclohexanecarboxylic acid
CID 2933526
3-Amino-7-fluoro-4-[2-(2-nitroimidazol-1-yl)ethylcarbamoyl]heptanoic acid
CID 175396666
2-Ethyl-5-(3-imidazol-1-ylpropylamino)-4-methyl-5-oxopentanoic acid
CID 139244409
2-ethyl-5-[3-(1H-imidazol-3-ium-3-yl)propylamino]-4-methyl-5-oxopentanoic acid
CID 139244410
2-Ethyl-5-(3-imidazol-1-ylpropylamino)-4-methyl-5-oxopentanoate
CID 139244411
4-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 60809705
cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid
CID 95008036
Methyl 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylate
CID 119137530
2-(3-Imidazol-1-ylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 78437856
4-(3-Imidazol-1-ylpropyl)piperidine-2-carboxylic acid
CID 18446350
2-(1H-imidazol-1-yl)cyclohexane-1-carboxylic acid
CID 63074940
4-[[1-(2-Piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 67643102

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (CID 54595195) is 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is O=C(CCn1ccnc1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is UWVFSZNTDMTKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(5-7-16-8-6-14-9-16)15-11-3-1-10(2-4-11)13(18)19/h6,8-11H,1-5,7H2,(H,15,17)(H,18,19).
What are the key properties of 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54595195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).