2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C15H23N3O3 — CID 64512570

IUPAC2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN(Cc1ncc[nH]1)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-18(11-12-16-7-8-17-12)13(19)9-15(10-14(20)21)5-3-2-4-6-15/h7-8H,2-6,9-11H2,1H3,(H,16,17)(H,20,21)
InChIKeyHKRRSUPNMKSDON-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.18
Rot. Bonds6

About 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 64512570) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID64512570
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN(Cc1ncc[nH]1)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-18(11-12-16-7-8-17-12)13(19)9-15(10-14(20)21)5-3-2-4-6-15/h7-8H,2-6,9-11H2,1H3,(H,16,17)(H,20,21)
InChIKeyHKRRSUPNMKSDON-UHFFFAOYSA-N
XLogP2.18
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 64512570) is 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CN(Cc1ncc[nH]1)C(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is HKRRSUPNMKSDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(11-12-16-7-8-17-12)13(19)9-15(10-14(20)21)5-3-2-4-6-15/h7-8H,2-6,9-11H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 64512570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).