(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid

C12H16N2O5S — CID 72920244

IUPAC(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid
SMILESCOc1cccc([C@@H]2CN(S(N)(=O)=O)C[C@H]2C(=O)O)c1
InChIInChI=1S/C12H16N2O5S/c1-19-9-4-2-3-8(5-9)10-6-14(20(13,17)18)7-11(10)12(15)16/h2-5,10-11H,6-7H2,1H3,(H,15,16)(H2,13,17,18)/t10-,11+/m0/s1
InChIKeyHJCRJWYDXMTCCK-WDEREUQCSA-N
MW300.34 g/mol
LogP-0.00
Rot. Bonds4

About (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid

(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid (PubChem CID 72920244) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid
PubChem CID72920244
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid
SMILESCOc1cccc([C@@H]2CN(S(N)(=O)=O)C[C@H]2C(=O)O)c1
InChIInChI=1S/C12H16N2O5S/c1-19-9-4-2-3-8(5-9)10-6-14(20(13,17)18)7-11(10)12(15)16/h2-5,10-11H,6-7H2,1H3,(H,15,16)(H2,13,17,18)/t10-,11+/m0/s1
InChIKeyHJCRJWYDXMTCCK-WDEREUQCSA-N
XLogP-0.00
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962565
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564
(3S,4R)-1-acetyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70714398
(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 86283654
(3S,4R)-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 57356373
1-(2-ethoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 53405946
(3R,4S)-1-(benzenesulfonyl)-4-(3-methoxyphenyl)-N-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93154582
(3S,4R)-4-(3-methoxyphenyl)-1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 72870647
(3R,4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133114687
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(3S,4R)-1-[(2R)-2-acetamidopropanoyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 166323984
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid (CID 72920244) is (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid is COc1cccc([C@@H]2CN(S(N)(=O)=O)C[C@H]2C(=O)O)c1.
What is the InChIKey of (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid?
The InChIKey is HJCRJWYDXMTCCK-WDEREUQCSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-19-9-4-2-3-8(5-9)10-6-14(20(13,17)18)7-11(10)12(15)16/h2-5,10-11H,6-7H2,1H3,(H,15,16)(H2,13,17,18)/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid?
(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72920244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).