(2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid

C24H30N2O5 — CID 67830755

IUPAC(2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C(C(O)c1ccccn1)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C24H30N2O5/c1-24(2,3)31-23(30)20(21(27)17-11-7-8-14-25-17)18-12-13-19(22(28)29)26(18)15-16-9-5-4-6-10-16/h4-11,14,18-21,27H,12-13,15H2,1-3H3,(H,28,29)/t18-,19+,20?,21?/m1/s1
InChIKeyNUFYUSGOMBFELS-QAJIEZEQSA-N
MW426.51 g/mol
LogP3.19
Rot. Bonds7

About (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid

(2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 67830755) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID67830755
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name(2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C(C(O)c1ccccn1)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C24H30N2O5/c1-24(2,3)31-23(30)20(21(27)17-11-7-8-14-25-17)18-12-13-19(22(28)29)26(18)15-16-9-5-4-6-10-16/h4-11,14,18-21,27H,12-13,15H2,1-3H3,(H,28,29)/t18-,19+,20?,21?/m1/s1
InChIKeyNUFYUSGOMBFELS-QAJIEZEQSA-N
XLogP3.19
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid (CID 67830755) is (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)C(C(O)c1ccccn1)[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1.
What is the InChIKey of (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is NUFYUSGOMBFELS-QAJIEZEQSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-24(2,3)31-23(30)20(21(27)17-11-7-8-14-25-17)18-12-13-19(22(28)29)26(18)15-16-9-5-4-6-10-16/h4-11,14,18-21,27H,12-13,15H2,1-3H3,(H,28,29)/t18-,19+,20?,21?/m1/s1.
What are the key properties of (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid?
(2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 426.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-benzyl-5-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-2-ylpropan-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67830755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).