4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H20N2O3 — CID 43341398

IUPAC4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2cccn2C)(C(=O)O)CC1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-14(8-6-10,13(18)19)15-12(17)11-4-3-9-16(11)2/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYHDZVEKIFUWNBF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341398) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341398
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2cccn2C)(C(=O)O)CC1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-14(8-6-10,13(18)19)15-12(17)11-4-3-9-16(11)2/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYHDZVEKIFUWNBF-UHFFFAOYSA-N
XLogP1.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
1-[(2,3-dihydroxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114343273
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43809184
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341402
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350667
4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530176
1-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639039
1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid;2-(1-methylpyrrol-2-yl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
CID 159219818
1-[(2,4-dimethylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341465
1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43638907

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341398) is 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)c2cccn2C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YHDZVEKIFUWNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-7-14(8-6-10,13(18)19)15-12(17)11-4-3-9-16(11)2/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).