3-hydroxy-N-(hydroxymethyl)pentanamide

C6H13NO3 — CID 123152534

IUPAC3-hydroxy-N-(hydroxymethyl)pentanamide
SMILESCCC(O)CC(=O)NCO
InChIInChI=1S/C6H13NO3/c1-2-5(9)3-6(10)7-4-8/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyQTXRUMMPDHQIBG-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.79
Rot. Bonds4

About 3-hydroxy-N-(hydroxymethyl)pentanamide

3-hydroxy-N-(hydroxymethyl)pentanamide (PubChem CID 123152534) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-hydroxy-N-(hydroxymethyl)pentanamide.

Molecular Properties

Compound Name3-hydroxy-N-(hydroxymethyl)pentanamide
PubChem CID123152534
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-hydroxy-N-(hydroxymethyl)pentanamide
SMILESCCC(O)CC(=O)NCO
InChIInChI=1S/C6H13NO3/c1-2-5(9)3-6(10)7-4-8/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyQTXRUMMPDHQIBG-UHFFFAOYSA-N
XLogP-0.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(hydroxymethyl)pentanamide?
The IUPAC name of 3-hydroxy-N-(hydroxymethyl)pentanamide (CID 123152534) is 3-hydroxy-N-(hydroxymethyl)pentanamide.
What is the SMILES notation for 3-hydroxy-N-(hydroxymethyl)pentanamide?
The canonical SMILES for 3-hydroxy-N-(hydroxymethyl)pentanamide is CCC(O)CC(=O)NCO.
What is the InChIKey of 3-hydroxy-N-(hydroxymethyl)pentanamide?
The InChIKey is QTXRUMMPDHQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-5(9)3-6(10)7-4-8/h5,8-9H,2-4H2,1H3,(H,7,10).
What are the key properties of 3-hydroxy-N-(hydroxymethyl)pentanamide?
3-hydroxy-N-(hydroxymethyl)pentanamide has a molecular weight of 147.17 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(hydroxymethyl)pentanamide is sourced from PubChem (CID 123152534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).