5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide

C12H23NO3 — CID 114953852

IUPAC5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCCCO
InChIInChI=1S/C12H23NO3/c1-13(11(15)6-2-5-9-14)10-12(16)7-3-4-8-12/h14,16H,2-10H2,1H3
InChIKeyTZSDYDKHYGVNIW-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.91
Rot. Bonds6

About 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide

5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide (PubChem CID 114953852) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
PubChem CID114953852
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCCCO
InChIInChI=1S/C12H23NO3/c1-13(11(15)6-2-5-9-14)10-12(16)7-3-4-8-12/h14,16H,2-10H2,1H3
InChIKeyTZSDYDKHYGVNIW-UHFFFAOYSA-N
XLogP0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide?
The IUPAC name of 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide (CID 114953852) is 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide is CN(CC1(O)CCCC1)C(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide?
The InChIKey is TZSDYDKHYGVNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13(11(15)6-2-5-9-14)10-12(16)7-3-4-8-12/h14,16H,2-10H2,1H3.
What are the key properties of 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide?
5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 114953852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).