1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C15H16N2O3S — CID 79324066

IUPAC1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H16N2O3S/c18-14(9-16-6-1-2-13(16)15(19)20)17(12-3-4-12)8-11-5-7-21-10-11/h1-2,5-7,10,12H,3-4,8-9H2,(H,19,20)
InChIKeyBBEFBUKPIFHIDW-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.44
Rot. Bonds6

About 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79324066) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79324066
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H16N2O3S/c18-14(9-16-6-1-2-13(16)15(19)20)17(12-3-4-12)8-11-5-7-21-10-11/h1-2,5-7,10,12H,3-4,8-9H2,(H,19,20)
InChIKeyBBEFBUKPIFHIDW-UHFFFAOYSA-N
XLogP2.44
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 71936534
N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866026
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
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
methyl 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 84584110
N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79324066) is 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1CC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is BBEFBUKPIFHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(9-16-6-1-2-13(16)15(19)20)17(12-3-4-12)8-11-5-7-21-10-11/h1-2,5-7,10,12H,3-4,8-9H2,(H,19,20).
What are the key properties of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).