3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide

C8H14N2O3 — CID 118235005

IUPAC3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1C=CCO1
InChIInChI=1S/C8H14N2O3/c9-8(12)7(11)5-10-4-6-2-1-3-13-6/h1-2,6-7,10-11H,3-5H2,(H2,9,12)
InChIKeyKSZZEGLUOPXJHA-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.62
Rot. Bonds5

About 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide

3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide (PubChem CID 118235005) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide
PubChem CID118235005
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1C=CCO1
InChIInChI=1S/C8H14N2O3/c9-8(12)7(11)5-10-4-6-2-1-3-13-6/h1-2,6-7,10-11H,3-5H2,(H2,9,12)
InChIKeyKSZZEGLUOPXJHA-UHFFFAOYSA-N
XLogP-1.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide (CID 118235005) is 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide is NC(=O)C(O)CNCC1C=CCO1.
What is the InChIKey of 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide?
The InChIKey is KSZZEGLUOPXJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-8(12)7(11)5-10-4-6-2-1-3-13-6/h1-2,6-7,10-11H,3-5H2,(H2,9,12).
What are the key properties of 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide?
3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide has a molecular weight of 186.21 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydrofuran-2-ylmethylamino)-2-hydroxypropanamide is sourced from PubChem (CID 118235005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).