(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid

C11H15NO2S — CID 57073182

IUPAC(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](Cc2cccs2)CN1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-8-5-9(7-12(8)11(13)14)6-10-3-2-4-15-10/h2-4,8-9H,5-7H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyIJVWGWMWGRWDKQ-RKDXNWHRSA-N
MW225.31 g/mol
LogP2.68
Rot. Bonds2

About (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid

(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid (PubChem CID 57073182) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
PubChem CID57073182
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](Cc2cccs2)CN1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-8-5-9(7-12(8)11(13)14)6-10-3-2-4-15-10/h2-4,8-9H,5-7H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyIJVWGWMWGRWDKQ-RKDXNWHRSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid
CID 174675613
tert-butyl (2R)-2-ethenyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylate
CID 162398881
N-hydroxy-N-[1-(2-thiophen-2-ylcyclopropyl)ethyl]acetamide
CID 19894274
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838
4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149911
N-hydroxy-N-[1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethyl]acetamide
CID 54394926
(4S)-2-methyl-1-(2-sulfanylacetyl)-4-thiophen-2-ylpyrrolidin-1-ium-1-carboxylic acid
CID 56975604
(1S)-2-methyl-1-[2-methyl-3-(thiophene-2-carbothioylsulfanyl)propanoyl]pyrrolidin-1-ium-1-carboxylic acid
CID 57094076
(2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
CID 57197445
(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid
CID 57207040
(4S)-1-(2-acetylsulfanylacetyl)-2-methyl-4-thiophen-2-ylpyrrolidin-1-ium-1-carboxylic acid
CID 57210945
(2R,4S)-2-methyl-4-thiophen-2-ylpyrrolidine-1-carboxylic acid
CID 57249259

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid (CID 57073182) is (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid is C[C@@H]1C[C@H](Cc2cccs2)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is IJVWGWMWGRWDKQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-5-9(7-12(8)11(13)14)6-10-3-2-4-15-10/h2-4,8-9H,5-7H2,1H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57073182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).