N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide

C12H24N2O2 — CID 104954772

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)C(CCO)NC(=O)CC1CCNC1
InChIInChI=1S/C12H24N2O2/c1-9(2)11(4-6-15)14-12(16)7-10-3-5-13-8-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyUVTFLMKHMHWUBU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide (PubChem CID 104954772) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide
PubChem CID104954772
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)C(CCO)NC(=O)CC1CCNC1
InChIInChI=1S/C12H24N2O2/c1-9(2)11(4-6-15)14-12(16)7-10-3-5-13-8-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyUVTFLMKHMHWUBU-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide (CID 104954772) is N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide is CC(C)C(CCO)NC(=O)CC1CCNC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is UVTFLMKHMHWUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)11(4-6-15)14-12(16)7-10-3-5-13-8-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 104954772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).