(3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid

C14H19NO3S — CID 133135260

IUPAC(3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1C[C@H](C(=O)O)[C@@H](C(C)C)C1
InChIInChI=1S/C14H19NO3S/c1-8(2)10-6-15(7-11(10)14(17)18)13(16)12-9(3)4-5-19-12/h4-5,8,10-11H,6-7H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyJSDGPZFETZKAFQ-MNOVXSKESA-N
MW281.38 g/mol
LogP2.49
Rot. Bonds3

About (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 133135260) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID133135260
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1C[C@H](C(=O)O)[C@@H](C(C)C)C1
InChIInChI=1S/C14H19NO3S/c1-8(2)10-6-15(7-11(10)14(17)18)13(16)12-9(3)4-5-19-12/h4-5,8,10-11H,6-7H2,1-3H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyJSDGPZFETZKAFQ-MNOVXSKESA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone
CID 66213343
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982644
2-methyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792326
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70731861

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid (CID 133135260) is (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid is Cc1ccsc1C(=O)N1C[C@H](C(=O)O)[C@@H](C(C)C)C1.
What is the InChIKey of (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is JSDGPZFETZKAFQ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H19NO3S/c1-8(2)10-6-15(7-11(10)14(17)18)13(16)12-9(3)4-5-19-12/h4-5,8,10-11H,6-7H2,1-3H3,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133135260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).