(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide

C11H18N2O3 — CID 18611788

IUPAC(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H18N2O3/c1-7(2)5-8(6-14)12-11(16)9-3-4-10(15)13-9/h6-9H,3-5H2,1-2H3,(H,12,16)(H,13,15)/t8-,9-/m0/s1
InChIKeyFQDVDYZIYJPQHE-IUCAKERBSA-N
MW226.28 g/mol
LogP-0.01
Rot. Bonds5

About (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 18611788) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID18611788
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H18N2O3/c1-7(2)5-8(6-14)12-11(16)9-3-4-10(15)13-9/h6-9H,3-5H2,1-2H3,(H,12,16)(H,13,15)/t8-,9-/m0/s1
InChIKeyFQDVDYZIYJPQHE-IUCAKERBSA-N
XLogP-0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 18611788) is (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is CC(C)C[C@@H](C=O)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FQDVDYZIYJPQHE-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)5-8(6-14)12-11(16)9-3-4-10(15)13-9/h6-9H,3-5H2,1-2H3,(H,12,16)(H,13,15)/t8-,9-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 18611788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).