3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid

C10H12N2O3S — CID 106190644

IUPAC3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C1CC(NCc2ccsc2C(=O)O)CN1
InChIInChI=1S/C10H12N2O3S/c13-8-3-7(5-12-8)11-4-6-1-2-16-9(6)10(14)15/h1-2,7,11H,3-5H2,(H,12,13)(H,14,15)
InChIKeyMHYUAJAEUVUYJY-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.42
Rot. Bonds4

About 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid

3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 106190644) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID106190644
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C1CC(NCc2ccsc2C(=O)O)CN1
InChIInChI=1S/C10H12N2O3S/c13-8-3-7(5-12-8)11-4-6-1-2-16-9(6)10(14)15/h1-2,7,11H,3-5H2,(H,12,13)(H,14,15)
InChIKeyMHYUAJAEUVUYJY-UHFFFAOYSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
3-[(cyclohexylamino)methyl]thiophene-2-carboxylic acid
CID 103230831
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
CID 114155218
3-[[(1,1-dioxothian-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103251408
3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190640
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184519
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
CID 106182710
4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106181767
4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
CID 114155169
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103250865

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid (CID 106190644) is 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid is O=C1CC(NCc2ccsc2C(=O)O)CN1.
What is the InChIKey of 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is MHYUAJAEUVUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-8-3-7(5-12-8)11-4-6-1-2-16-9(6)10(14)15/h1-2,7,11H,3-5H2,(H,12,13)(H,14,15).
What are the key properties of 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid?
3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106190644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).