(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide

C14H26N2O2 — CID 11207545

IUPAC(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide
SMILESCCCC1(CCC)CC(=O)N([C@@H](CC)C(N)=O)C1
InChIInChI=1S/C14H26N2O2/c1-4-7-14(8-5-2)9-12(17)16(10-14)11(6-3)13(15)18/h11H,4-10H2,1-3H3,(H2,15,18)/t11-/m0/s1
InChIKeyXMCCLKPSSXXBEM-NSHDSACASA-N
MW254.37 g/mol
LogP2.07
Rot. Bonds7

About (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide

(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide (PubChem CID 11207545) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide
PubChem CID11207545
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide
SMILESCCCC1(CCC)CC(=O)N([C@@H](CC)C(N)=O)C1
InChIInChI=1S/C14H26N2O2/c1-4-7-14(8-5-2)9-12(17)16(10-14)11(6-3)13(15)18/h11H,4-10H2,1-3H3,(H2,15,18)/t11-/m0/s1
InChIKeyXMCCLKPSSXXBEM-NSHDSACASA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide (CID 11207545) is (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide is CCCC1(CCC)CC(=O)N([C@@H](CC)C(N)=O)C1.
What is the InChIKey of (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide?
The InChIKey is XMCCLKPSSXXBEM-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-7-14(8-5-2)9-12(17)16(10-14)11(6-3)13(15)18/h11H,4-10H2,1-3H3,(H2,15,18)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide?
(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide has a molecular weight of 254.37 g/mol, XLogP of 2.07, 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-4,4-dipropylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 11207545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).