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

C15H20N2O4 — CID 43350928

IUPAC1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1cc(C(=O)NC2(C(=O)O)CCCCC2)n(C)c1
InChIInChI=1S/C15H20N2O4/c1-10(18)11-8-12(17(2)9-11)13(19)16-15(14(20)21)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBHUPUPKVVCTOKU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.75
Rot. Bonds4

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

1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43350928) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43350928
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1cc(C(=O)NC2(C(=O)O)CCCCC2)n(C)c1
InChIInChI=1S/C15H20N2O4/c1-10(18)11-8-12(17(2)9-11)13(19)16-15(14(20)21)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBHUPUPKVVCTOKU-UHFFFAOYSA-N
XLogP1.75
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351031
1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539118
1-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639770
1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639874
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 45427860
1-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43640141
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512742
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
1-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639039
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43350928) is 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(=O)c1cc(C(=O)NC2(C(=O)O)CCCCC2)n(C)c1.
What is the InChIKey of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BHUPUPKVVCTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)11-8-12(17(2)9-11)13(19)16-15(14(20)21)6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43350928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).