4-hydroxy-N-methoxypentanamide

C6H13NO3 — CID 79193402

IUPAC4-hydroxy-N-methoxypentanamide
SMILESCONC(=O)CCC(C)O
InChIInChI=1S/C6H13NO3/c1-5(8)3-4-6(9)7-10-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyYCIUBBOEGCQDNH-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.17
Rot. Bonds4

About 4-hydroxy-N-methoxypentanamide

4-hydroxy-N-methoxypentanamide (PubChem CID 79193402) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-hydroxy-N-methoxypentanamide.

Molecular Properties

Compound Name4-hydroxy-N-methoxypentanamide
PubChem CID79193402
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-hydroxy-N-methoxypentanamide
SMILESCONC(=O)CCC(C)O
InChIInChI=1S/C6H13NO3/c1-5(8)3-4-6(9)7-10-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyYCIUBBOEGCQDNH-UHFFFAOYSA-N
XLogP-0.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methoxypentanamide?
The IUPAC name of 4-hydroxy-N-methoxypentanamide (CID 79193402) is 4-hydroxy-N-methoxypentanamide.
What is the SMILES notation for 4-hydroxy-N-methoxypentanamide?
The canonical SMILES for 4-hydroxy-N-methoxypentanamide is CONC(=O)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-methoxypentanamide?
The InChIKey is YCIUBBOEGCQDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(8)3-4-6(9)7-10-2/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 4-hydroxy-N-methoxypentanamide?
4-hydroxy-N-methoxypentanamide has a molecular weight of 147.17 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methoxypentanamide is sourced from PubChem (CID 79193402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).