2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid

C14H21N3O3 — CID 107971504

IUPAC2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)c1cn(C)cn1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H21N3O3/c1-16-9-11(15-10-16)13(20)17(2)14(8-12(18)19)6-4-3-5-7-14/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyACWJWOKSYQZRPT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.67
Rot. Bonds4

About 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 107971504) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID107971504
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)c1cn(C)cn1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H21N3O3/c1-16-9-11(15-10-16)13(20)17(2)14(8-12(18)19)6-4-3-5-7-14/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyACWJWOKSYQZRPT-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid (CID 107971504) is 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid is CN(C(=O)c1cn(C)cn1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is ACWJWOKSYQZRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-9-11(15-10-16)13(20)17(2)14(8-12(18)19)6-4-3-5-7-14/h9-10H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 107971504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).