1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid

C10H13NO2S — CID 63031199

IUPAC1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cccs2)C1
InChIInChI=1S/C10H13NO2S/c12-10(13)8-3-4-11(6-8)7-9-2-1-5-14-9/h1-2,5,8H,3-4,6-7H2,(H,12,13)
InChIKeyBWVGPQOOJPCYSL-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.65
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid

1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63031199) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID63031199
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cccs2)C1
InChIInChI=1S/C10H13NO2S/c12-10(13)8-3-4-11(6-8)7-9-2-1-5-14-9/h1-2,5,8H,3-4,6-7H2,(H,12,13)
InChIKeyBWVGPQOOJPCYSL-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 134078451
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
1-[(2-methylthiophen-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 130581527
3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 156608361
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760
(3R)-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610662
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 63031694
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030379
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036269

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 63031199) is 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2cccs2)C1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BWVGPQOOJPCYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)8-3-4-11(6-8)7-9-2-1-5-14-9/h1-2,5,8H,3-4,6-7H2,(H,12,13).
What are the key properties of 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).