(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide

C13H24N2O2 — CID 11287921

IUPAC(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide
SMILESCCCCCC1CCC(=O)N1[C@@H](CC)C(N)=O
InChIInChI=1S/C13H24N2O2/c1-3-5-6-7-10-8-9-12(16)15(10)11(4-2)13(14)17/h10-11H,3-9H2,1-2H3,(H2,14,17)/t10?,11-/m0/s1
InChIKeyMEDHVHAEXIVHTF-DTIOYNMSSA-N
MW240.35 g/mol
LogP1.82
Rot. Bonds7

About (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide

(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide (PubChem CID 11287921) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide
PubChem CID11287921
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide
SMILESCCCCCC1CCC(=O)N1[C@@H](CC)C(N)=O
InChIInChI=1S/C13H24N2O2/c1-3-5-6-7-10-8-9-12(16)15(10)11(4-2)13(14)17/h10-11H,3-9H2,1-2H3,(H2,14,17)/t10?,11-/m0/s1
InChIKeyMEDHVHAEXIVHTF-DTIOYNMSSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide (CID 11287921) is (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide is CCCCCC1CCC(=O)N1[C@@H](CC)C(N)=O.
What is the InChIKey of (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide?
The InChIKey is MEDHVHAEXIVHTF-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-6-7-10-8-9-12(16)15(10)11(4-2)13(14)17/h10-11H,3-9H2,1-2H3,(H2,14,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide?
(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide has a molecular weight of 240.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 11287921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).