(2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid

C24H26N2O6 — CID 168737559

IUPAC(2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](OC2CCCCO2)CN1C(=O)OCn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H26N2O6/c27-23(28)21-13-16(32-22-11-5-6-12-30-22)14-25(21)24(29)31-15-26-19-9-3-1-7-17(19)18-8-2-4-10-20(18)26/h1-4,7-10,16,21-22H,5-6,11-15H2,(H,27,28)/t16-,21+,22?/m1/s1
InChIKeyACAGJMOKICMIMP-NKWVPACGSA-N
MW438.48 g/mol
LogP3.96
Rot. Bonds5

About (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid

(2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid (PubChem CID 168737559) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid
PubChem CID168737559
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name(2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](OC2CCCCO2)CN1C(=O)OCn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H26N2O6/c27-23(28)21-13-16(32-22-11-5-6-12-30-22)14-25(21)24(29)31-15-26-19-9-3-1-7-17(19)18-8-2-4-10-20(18)26/h1-4,7-10,16,21-22H,5-6,11-15H2,(H,27,28)/t16-,21+,22?/m1/s1
InChIKeyACAGJMOKICMIMP-NKWVPACGSA-N
XLogP3.96
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid (CID 168737559) is (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](OC2CCCCO2)CN1C(=O)OCn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid?
The InChIKey is ACAGJMOKICMIMP-NKWVPACGSA-N. The full InChI is InChI=1S/C24H26N2O6/c27-23(28)21-13-16(32-22-11-5-6-12-30-22)14-25(21)24(29)31-15-26-19-9-3-1-7-17(19)18-8-2-4-10-20(18)26/h1-4,7-10,16,21-22H,5-6,11-15H2,(H,27,28)/t16-,21+,22?/m1/s1.
What are the key properties of (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid?
(2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid has a molecular weight of 438.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(carbazol-9-ylmethoxycarbonyl)-4-(oxan-2-yloxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 168737559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).