2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide

C13H26N2O2 — CID 75506531

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C13H26N2O2/c1-5-12(8-16)14-13(17)11(4)15-9(2)6-7-10(15)3/h9-12,16H,5-8H2,1-4H3,(H,14,17)
InChIKeyMBUSPRHNIMYAHO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.13
Rot. Bonds5

About 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide

2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide (PubChem CID 75506531) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide
PubChem CID75506531
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C13H26N2O2/c1-5-12(8-16)14-13(17)11(4)15-9(2)6-7-10(15)3/h9-12,16H,5-8H2,1-4H3,(H,14,17)
InChIKeyMBUSPRHNIMYAHO-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide (CID 75506531) is 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide is CCC(CO)NC(=O)C(C)N1C(C)CCC1C.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide?
The InChIKey is MBUSPRHNIMYAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-12(8-16)14-13(17)11(4)15-9(2)6-7-10(15)3/h9-12,16H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide?
2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-N-(1-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 75506531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).