1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

C15H20N2O4 — CID 61295047

IUPAC1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)c1c[nH]c(C(=O)NC2(C(=O)O)CCCCC2C)c1
InChIInChI=1S/C15H20N2O4/c1-9-5-3-4-6-15(9,14(20)21)17-13(19)12-7-11(8-16-12)10(2)18/h7-9,16H,3-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFTPRIPWCYMTARR-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.98
Rot. Bonds4

About 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61295047) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61295047
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)c1c[nH]c(C(=O)NC2(C(=O)O)CCCCC2C)c1
InChIInChI=1S/C15H20N2O4/c1-9-5-3-4-6-15(9,14(20)21)17-13(19)12-7-11(8-16-12)10(2)18/h7-9,16H,3-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFTPRIPWCYMTARR-UHFFFAOYSA-N
XLogP1.98
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 61295047) is 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC(=O)c1c[nH]c(C(=O)NC2(C(=O)O)CCCCC2C)c1.
What is the InChIKey of 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is FTPRIPWCYMTARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-5-3-4-6-15(9,14(20)21)17-13(19)12-7-11(8-16-12)10(2)18/h7-9,16H,3-6H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61295047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).