4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

C14H23NO6 — CID 19831217

IUPAC4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)C(O)C1CC(C(=O)O)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H23NO6/c1-7(2)10(16)8-6-9(12(18)19)15(11(8)17)13(20)21-14(3,4)5/h7-10,16H,6H2,1-5H3,(H,18,19)
InChIKeyOXGBKIPFQGZIED-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.24
Rot. Bonds3

About 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 19831217) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID19831217
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)C(O)C1CC(C(=O)O)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H23NO6/c1-7(2)10(16)8-6-9(12(18)19)15(11(8)17)13(20)21-14(3,4)5/h7-10,16H,6H2,1-5H3,(H,18,19)
InChIKeyOXGBKIPFQGZIED-UHFFFAOYSA-N
XLogP1.24
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (CID 19831217) is 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is CC(C)C(O)C1CC(C(=O)O)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is OXGBKIPFQGZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-7(2)10(16)8-6-9(12(18)19)15(11(8)17)13(20)21-14(3,4)5/h7-10,16H,6H2,1-5H3,(H,18,19).
What are the key properties of 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19831217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).