1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C15H18N2O3S — CID 80524381

IUPAC1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC(C)(CNC(=O)Cn1cccc1C(=O)O)c1cccs1
InChIInChI=1S/C15H18N2O3S/c1-15(2,12-6-4-8-21-12)10-16-13(18)9-17-7-3-5-11(17)14(19)20/h3-8H,9-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPZIHNXCFGRZYMB-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 80524381) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID80524381
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC(C)(CNC(=O)Cn1cccc1C(=O)O)c1cccs1
InChIInChI=1S/C15H18N2O3S/c1-15(2,12-6-4-8-21-12)10-16-13(18)9-17-7-3-5-11(17)14(19)20/h3-8H,9-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPZIHNXCFGRZYMB-UHFFFAOYSA-N
XLogP2.34
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527451
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325047
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
2-methyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 80526378
N-tert-butyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80527486
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
CID 80527343
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 115627643
1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 80524381) is 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is CC(C)(CNC(=O)Cn1cccc1C(=O)O)c1cccs1.
What is the InChIKey of 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is PZIHNXCFGRZYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,12-6-4-8-21-12)10-16-13(18)9-17-7-3-5-11(17)14(19)20/h3-8H,9-10H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 80524381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).