4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid

C18H26N2O4 — CID 119216360

IUPAC4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOCC2C(=O)O)c(C)n1C1CCCCC1
InChIInChI=1S/C18H26N2O4/c1-12-10-15(13(2)20(12)14-6-4-3-5-7-14)17(21)19-8-9-24-11-16(19)18(22)23/h10,14,16H,3-9,11H2,1-2H3,(H,22,23)
InChIKeyNQQZUCHAXFCBMC-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.54
Rot. Bonds3

About 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid

4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 119216360) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID119216360
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOCC2C(=O)O)c(C)n1C1CCCCC1
InChIInChI=1S/C18H26N2O4/c1-12-10-15(13(2)20(12)14-6-4-3-5-7-14)17(21)19-8-9-24-11-16(19)18(22)23/h10,14,16H,3-9,11H2,1-2H3,(H,22,23)
InChIKeyNQQZUCHAXFCBMC-UHFFFAOYSA-N
XLogP2.54
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid (CID 119216360) is 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid is Cc1cc(C(=O)N2CCOCC2C(=O)O)c(C)n1C1CCCCC1.
What is the InChIKey of 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is NQQZUCHAXFCBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-10-15(13(2)20(12)14-6-4-3-5-7-14)17(21)19-8-9-24-11-16(19)18(22)23/h10,14,16H,3-9,11H2,1-2H3,(H,22,23).
What are the key properties of 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid?
4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119216360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).