2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid

C15H23N3O3 — CID 65243009

IUPAC2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)CCn1ccnc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-17(13(19)5-9-18-10-8-16-12-18)15(11-14(20)21)6-3-2-4-7-15/h8,10,12H,2-7,9,11H2,1H3,(H,20,21)
InChIKeyKOHVQRCWBWVUAJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds6

About 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65243009) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65243009
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)CCn1ccnc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-17(13(19)5-9-18-10-8-16-12-18)15(11-14(20)21)6-3-2-4-7-15/h8,10,12H,2-7,9,11H2,1H3,(H,20,21)
InChIKeyKOHVQRCWBWVUAJ-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
CID 61021860
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 65243108
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid
CID 60846258
3-imidazol-1-ylpropanoyl chloride
CID 19872160
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
CID 110127432
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 65238494
N,N-bis(2-hydroxyethyl)-3-imidazol-1-ylpropanamide
CID 61235262

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid (CID 65243009) is 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid is CN(C(=O)CCn1ccnc1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is KOHVQRCWBWVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17(13(19)5-9-18-10-8-16-12-18)15(11-14(20)21)6-3-2-4-7-15/h8,10,12H,2-7,9,11H2,1H3,(H,20,21).
What are the key properties of 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).