(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C12H15NO4S — CID 124596105

IUPAC(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1csc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1
InChIInChI=1S/C12H15NO4S/c1-12(11(15)16)3-4-13(7-12)10(14)9-5-8(17-2)6-18-9/h5-6H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyNQILOQKQTSZBAC-GFCCVEGCSA-N
MW269.32 g/mol
LogP1.69
Rot. Bonds3

About (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 124596105) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID124596105
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1csc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1
InChIInChI=1S/C12H15NO4S/c1-12(11(15)16)3-4-13(7-12)10(14)9-5-8(17-2)6-18-9/h5-6H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyNQILOQKQTSZBAC-GFCCVEGCSA-N
XLogP1.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 81127835
(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304268
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146777
1-(2-amino-5-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115413223
3-methyl-1-(5-methylsulfonylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688166
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 103720299
2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 81127210
1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122004897
(3,3-dimethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107032413

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 124596105) is (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is COc1csc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1.
What is the InChIKey of (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NQILOQKQTSZBAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-12(11(15)16)3-4-13(7-12)10(14)9-5-8(17-2)6-18-9/h5-6H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124596105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).