1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid

C94H117Cl4N11O16 — CID 160895267

About 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid

1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid (PubChem CID 160895267) has the molecular formula C94H117Cl4N11O16 and a molecular weight of 1798.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid
• PubChem CID: 160895267
• Molecular Formula: C94H117Cl4N11O16
• Molecular Weight: 1798.84 g/mol
• Exact Mass: 1795.74
• IUPAC Name: 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid
• SMILES: O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc(Cl)cc2)C1.O=C(O)C1CCN(c2ccc(Cl)cc2)C1.O=C(O)C1CCNC1
• InChI: InChI=1S/3C26H32ClN3O4.C11H12ClNO2.C5H9NO2/c3*27-20-4-6-21(7-5-20)30-12-9-19(16-30)26(32)28-22(17-29-10-1-2-11-29)25(31)18-3-8-23-24(15-18)34-14-13-33-23;12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15;7-5(8)4-1-2-6-3-4/h3*3-8,15,19,22,25,31H,1-2,9-14,16-17H2,(H,28,32);1-4,8H,5-7H2,(H,14,15);4,6H,1-3H2,(H,7,8)/t19?,22-,25-;19-,22+,25+;19-,22-,25-;;/m101../s1
• InChIKey: SOUFFKYBFWLXOE-FVBXLRMESA-N
• XLogP: 11.69
• TPSA: 312.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.84
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid?

The IUPAC name of 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid (CID 160895267) is 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid?

The canonical SMILES for 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid is O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc(Cl)cc2)C1.O=C(O)C1CCN(c2ccc(Cl)cc2)C1.O=C(O)C1CCNC1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid?

The InChIKey is SOUFFKYBFWLXOE-FVBXLRMESA-N. The full InChI is InChI=1S/3C26H32ClN3O4.C11H12ClNO2.C5H9NO2/c3*27-20-4-6-21(7-5-20)30-12-9-19(16-30)26(32)28-22(17-29-10-1-2-11-29)25(31)18-3-8-23-24(15-18)34-14-13-33-23;12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15;7-5(8)4-1-2-6-3-4/h3*3-8,15,19,22,25,31H,1-2,9-14,16-17H2,(H,28,32);1-4,8H,5-7H2,(H,14,15);4,6H,1-3H2,(H,7,8)/t19?,22-,25-;19-,22+,25+;19-,22-,25-;;/m101../s1.

What are the key properties of 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid?

1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid has a molecular weight of 1798.84 g/mol, XLogP of 11.69, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 160895267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).