2-[(4-hydroxyoxan-4-yl)methylamino]acetamide

C8H16N2O3 — CID 81130797

IUPAC2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
SMILESNC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C8H16N2O3/c9-7(11)5-10-6-8(12)1-3-13-4-2-8/h10,12H,1-6H2,(H2,9,11)
InChIKeyOEFMMWARBGLTFG-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.40
Rot. Bonds4

About 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide

2-[(4-hydroxyoxan-4-yl)methylamino]acetamide (PubChem CID 81130797) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
PubChem CID81130797
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
SMILESNC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C8H16N2O3/c9-7(11)5-10-6-8(12)1-3-13-4-2-8/h10,12H,1-6H2,(H2,9,11)
InChIKeyOEFMMWARBGLTFG-UHFFFAOYSA-N
XLogP-1.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide (CID 81130797) is 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide is NC(=O)CNCC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
The InChIKey is OEFMMWARBGLTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-7(11)5-10-6-8(12)1-3-13-4-2-8/h10,12H,1-6H2,(H2,9,11).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide has a molecular weight of 188.23 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methylamino]acetamide is sourced from PubChem (CID 81130797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).