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

C13H18N2O4 — CID 102866026

IUPAC1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H18N2O4/c16-8-7-15(10-3-1-4-10)12(17)9-14-6-2-5-11(14)13(18)19/h2,5-6,10,16H,1,3-4,7-9H2,(H,18,19)
InChIKeyUAGNEFKPBGHSGO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.56
Rot. Bonds6

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

1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 102866026) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID102866026
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H18N2O4/c16-8-7-15(10-3-1-4-10)12(17)9-14-6-2-5-11(14)13(18)19/h2,5-6,10,16H,1,3-4,7-9H2,(H,18,19)
InChIKeyUAGNEFKPBGHSGO-UHFFFAOYSA-N
XLogP0.56
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324235
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866003
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324066
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558
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-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324985
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399317
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
1-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325054

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 102866026) is 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1CC(=O)N(CCO)C1CCC1.
What is the InChIKey of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is UAGNEFKPBGHSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-8-7-15(10-3-1-4-10)12(17)9-14-6-2-5-11(14)13(18)19/h2,5-6,10,16H,1,3-4,7-9H2,(H,18,19).
What are the key properties of 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 102866026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).