5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid

C12H15NO4S — CID 58714770

IUPAC5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESCOC[C@H]1CCCN1C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H15NO4S/c1-17-7-8-3-2-6-13(8)11(14)9-4-5-10(18-9)12(15)16/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyKLIRCLCSBNESHV-MRVPVSSYSA-N
MW269.32 g/mol
LogP1.70
Rot. Bonds4

About 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid

5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 58714770) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID58714770
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESCOC[C@H]1CCCN1C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H15NO4S/c1-17-7-8-3-2-6-13(8)11(14)9-4-5-10(18-9)12(15)16/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyKLIRCLCSBNESHV-MRVPVSSYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119184052
methyl 5-(2-benzylpyrrolidine-1-carbonyl)thiophene-2-carboxylate
CID 134050453
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 74241862
(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 22143587
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid;hydrochloride
CID 141091394
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 141115735
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid (CID 58714770) is 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid is COC[C@H]1CCCN1C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is KLIRCLCSBNESHV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-17-7-8-3-2-6-13(8)11(14)9-4-5-10(18-9)12(15)16/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid?
5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 58714770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).