5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid

C17H17NO5 — CID 124687783

IUPAC5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
SMILESCOc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)O)o3)C2)cc1
InChIInChI=1S/C17H17NO5/c1-22-13-4-2-11(3-5-13)12-8-9-18(10-12)16(19)14-6-7-15(23-14)17(20)21/h2-7,12H,8-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyOPMINQISQZTAOQ-GFCCVEGCSA-N
MW315.33 g/mol
LogP2.62
Rot. Bonds4

About 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid

5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid (PubChem CID 124687783) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
PubChem CID124687783
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
SMILESCOc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)O)o3)C2)cc1
InChIInChI=1S/C17H17NO5/c1-22-13-4-2-11(3-5-13)12-8-9-18(10-12)16(19)14-6-7-15(23-14)17(20)21/h2-7,12H,8-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyOPMINQISQZTAOQ-GFCCVEGCSA-N
XLogP2.62
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-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

(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
5-[3-(3,4-difluorophenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 167824467
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
2-[3-(4-methoxyphenyl)azepane-1-carbonyl]chromen-4-one
CID 121147054

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid (CID 124687783) is 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid is COc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)O)o3)C2)cc1.
What is the InChIKey of 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
The InChIKey is OPMINQISQZTAOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-13-4-2-11(3-5-13)12-8-9-18(10-12)16(19)14-6-7-15(23-14)17(20)21/h2-7,12H,8-10H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid is sourced from PubChem (CID 124687783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).