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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Related Compounds

(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124696632
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
(3aS,7aS)-2-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626992
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251307
4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 119216310
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889

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).