N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide

C12H24N2O3 — CID 90876604

IUPACN-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(O)(CCO)CCNC(=O)CN1CCCC1
InChIInChI=1S/C12H24N2O3/c1-12(17,5-9-15)4-6-13-11(16)10-14-7-2-3-8-14/h15,17H,2-10H2,1H3,(H,13,16)
InChIKeyOZFCWFBMSGNICQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.28
Rot. Bonds7

About N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide

N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 90876604) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide
PubChem CID90876604
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(O)(CCO)CCNC(=O)CN1CCCC1
InChIInChI=1S/C12H24N2O3/c1-12(17,5-9-15)4-6-13-11(16)10-14-7-2-3-8-14/h15,17H,2-10H2,1H3,(H,13,16)
InChIKeyOZFCWFBMSGNICQ-UHFFFAOYSA-N
XLogP-0.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide (CID 90876604) is N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide is CC(O)(CCO)CCNC(=O)CN1CCCC1.
What is the InChIKey of N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is OZFCWFBMSGNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(17,5-9-15)4-6-13-11(16)10-14-7-2-3-8-14/h15,17H,2-10H2,1H3,(H,13,16).
What are the key properties of N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide?
N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 244.33 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxy-3-methylpentyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 90876604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).