3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid

C10H19NO4 — CID 63558901

IUPAC3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
SMILESCCCNC(COC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-4-11-9(10(12)13)7-15-8-3-5-14-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyYPJMKGYAPBQQHN-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.24
Rot. Bonds7

About 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid

3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid (PubChem CID 63558901) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
PubChem CID63558901
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
SMILESCCCNC(COC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-4-11-9(10(12)13)7-15-8-3-5-14-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyYPJMKGYAPBQQHN-UHFFFAOYSA-N
XLogP0.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid?
The IUPAC name of 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid (CID 63558901) is 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid is CCCNC(COC1CCOC1)C(=O)O.
What is the InChIKey of 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid?
The InChIKey is YPJMKGYAPBQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-4-11-9(10(12)13)7-15-8-3-5-14-6-8/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid?
3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid is sourced from PubChem (CID 63558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).