4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C21H36N2O10 — CID 144826491

IUPAC4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(O)CC1C(=O)O.CC1C(O)CC(C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5.C10H17NO5/c1-6-8(13)5-7(9(14)15)12(6)10(16)17-11(2,3)4;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-8,13H,5H2,1-4H3,(H,14,15);6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyWGXXDJYITGMQNO-UHFFFAOYSA-N
MW476.52 g/mol
LogP1.27
Rot. Bonds2

About 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 144826491) has the molecular formula C21H36N2O10 and a molecular weight of 476.52 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID144826491
Molecular FormulaC21H36N2O10
Molecular Weight476.52 g/mol
Exact Mass476.24
IUPAC Name4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(O)CC1C(=O)O.CC1C(O)CC(C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5.C10H17NO5/c1-6-8(13)5-7(9(14)15)12(6)10(16)17-11(2,3)4;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-8,13H,5H2,1-4H3,(H,14,15);6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyWGXXDJYITGMQNO-UHFFFAOYSA-N
XLogP1.27
TPSA174.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 144826491) is 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC(O)CC1C(=O)O.CC1C(O)CC(C(=O)O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WGXXDJYITGMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5.C10H17NO5/c1-6-8(13)5-7(9(14)15)12(6)10(16)17-11(2,3)4;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-8,13H,5H2,1-4H3,(H,14,15);6-7,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 476.52 g/mol, XLogP of 1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 144826491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).