(2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C10H18N2O3 — CID 11287347

IUPAC(2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)N(C)OC)N1CCCC1=O
InChIInChI=1S/C10H18N2O3/c1-4-8(10(14)11(2)15-3)12-7-5-6-9(12)13/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyDBCFPLPEAMLYAF-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.41
Rot. Bonds4

About (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 11287347) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID11287347
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)N(C)OC)N1CCCC1=O
InChIInChI=1S/C10H18N2O3/c1-4-8(10(14)11(2)15-3)12-7-5-6-9(12)13/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyDBCFPLPEAMLYAF-QMMMGPOBSA-N
XLogP0.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 11287347) is (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@@H](C(=O)N(C)OC)N1CCCC1=O.
What is the InChIKey of (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is DBCFPLPEAMLYAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-8(10(14)11(2)15-3)12-7-5-6-9(12)13/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 214.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 11287347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).