(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid

C11H17NO5 — CID 22789944

IUPAC(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid
SMILESCC(C)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C11H17NO5/c1-6(2)5-8(10(14)15)17-11(16)7-3-4-9(13)12-7/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyBLRNKJDBDKWEAL-JGVFFNPUSA-N
MW243.26 g/mol
LogP0.31
Rot. Bonds5

About (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid

(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid (PubChem CID 22789944) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid
PubChem CID22789944
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid
SMILESCC(C)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C11H17NO5/c1-6(2)5-8(10(14)15)17-11(16)7-3-4-9(13)12-7/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyBLRNKJDBDKWEAL-JGVFFNPUSA-N
XLogP0.31
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid (CID 22789944) is (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid is CC(C)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid?
The InChIKey is BLRNKJDBDKWEAL-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17NO5/c1-6(2)5-8(10(14)15)17-11(16)7-3-4-9(13)12-7/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid?
(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid is sourced from PubChem (CID 22789944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).