methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate

C15H25NO4 — CID 18644114

IUPACmethyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)N1C(=O)CC(CC(C)C)C1=O
InChIInChI=1S/C15H25NO4/c1-9(2)6-11-8-13(17)16(14(11)18)12(7-10(3)4)15(19)20-5/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1
InChIKeySKNBIGLMQFTLBS-KIYNQFGBSA-N
MW283.37 g/mol
LogP2.00
Rot. Bonds6

About methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate

methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate (PubChem CID 18644114) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate
PubChem CID18644114
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)N1C(=O)CC(CC(C)C)C1=O
InChIInChI=1S/C15H25NO4/c1-9(2)6-11-8-13(17)16(14(11)18)12(7-10(3)4)15(19)20-5/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1
InChIKeySKNBIGLMQFTLBS-KIYNQFGBSA-N
XLogP2.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate (CID 18644114) is methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate is COC(=O)[C@H](CC(C)C)N1C(=O)CC(CC(C)C)C1=O.
What is the InChIKey of methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate?
The InChIKey is SKNBIGLMQFTLBS-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9(2)6-11-8-13(17)16(14(11)18)12(7-10(3)4)15(19)20-5/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate?
methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate has a molecular weight of 283.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 18644114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).