1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C15H22N2O4 — CID 79324235

IUPAC1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C15H22N2O4/c18-10-9-17(12-5-2-1-3-6-12)14(19)11-16-8-4-7-13(16)15(20)21/h4,7-8,12,18H,1-3,5-6,9-11H2,(H,20,21)
InChIKeyCIVIZSDBKQMRES-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.34
Rot. Bonds6

About 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79324235) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79324235
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C15H22N2O4/c18-10-9-17(12-5-2-1-3-6-12)14(19)11-16-8-4-7-13(16)15(20)21/h4,7-8,12,18H,1-3,5-6,9-11H2,(H,20,21)
InChIKeyCIVIZSDBKQMRES-UHFFFAOYSA-N
XLogP1.34
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866026
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866003
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324066
1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324985
2-(5-amino-2-oxo-1-pyridinyl)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858900
N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 102867358
1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
N-cyclopentyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 54994361
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
CID 83023632

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79324235) is 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1CC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is CIVIZSDBKQMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-10-9-17(12-5-2-1-3-6-12)14(19)11-16-8-4-7-13(16)15(20)21/h4,7-8,12,18H,1-3,5-6,9-11H2,(H,20,21).
What are the key properties of 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).