2-(oxolan-3-ylmethylamino)propanamide

C8H16N2O2 — CID 43545359

IUPAC2-(oxolan-3-ylmethylamino)propanamide
SMILESCC(NCC1CCOC1)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(8(9)11)10-4-7-2-3-12-5-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyOVGZDWDOYUORPQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.51
Rot. Bonds4

About 2-(oxolan-3-ylmethylamino)propanamide

2-(oxolan-3-ylmethylamino)propanamide (PubChem CID 43545359) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)propanamide
PubChem CID43545359
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(oxolan-3-ylmethylamino)propanamide
SMILESCC(NCC1CCOC1)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(8(9)11)10-4-7-2-3-12-5-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyOVGZDWDOYUORPQ-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)propanamide?
The IUPAC name of 2-(oxolan-3-ylmethylamino)propanamide (CID 43545359) is 2-(oxolan-3-ylmethylamino)propanamide.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)propanamide?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)propanamide is CC(NCC1CCOC1)C(N)=O.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)propanamide?
The InChIKey is OVGZDWDOYUORPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(8(9)11)10-4-7-2-3-12-5-7/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-(oxolan-3-ylmethylamino)propanamide?
2-(oxolan-3-ylmethylamino)propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)propanamide is sourced from PubChem (CID 43545359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).