3-(4-aminooxan-4-yl)propanoic acid

C8H15NO3 — CID 82411654

IUPAC3-(4-aminooxan-4-yl)propanoic acid
SMILESNC1(CCC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO3/c9-8(2-1-7(10)11)3-5-12-6-4-8/h1-6,9H2,(H,10,11)
InChIKeyGUFBERGQLGMHOV-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.36
Rot. Bonds3

About 3-(4-aminooxan-4-yl)propanoic acid

3-(4-aminooxan-4-yl)propanoic acid (PubChem CID 82411654) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-(4-aminooxan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-aminooxan-4-yl)propanoic acid
PubChem CID82411654
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-(4-aminooxan-4-yl)propanoic acid
SMILESNC1(CCC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO3/c9-8(2-1-7(10)11)3-5-12-6-4-8/h1-6,9H2,(H,10,11)
InChIKeyGUFBERGQLGMHOV-UHFFFAOYSA-N
XLogP0.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminooxan-4-yl)propanoic acid?
The IUPAC name of 3-(4-aminooxan-4-yl)propanoic acid (CID 82411654) is 3-(4-aminooxan-4-yl)propanoic acid.
What is the SMILES notation for 3-(4-aminooxan-4-yl)propanoic acid?
The canonical SMILES for 3-(4-aminooxan-4-yl)propanoic acid is NC1(CCC(=O)O)CCOCC1.
What is the InChIKey of 3-(4-aminooxan-4-yl)propanoic acid?
The InChIKey is GUFBERGQLGMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-8(2-1-7(10)11)3-5-12-6-4-8/h1-6,9H2,(H,10,11).
What are the key properties of 3-(4-aminooxan-4-yl)propanoic acid?
3-(4-aminooxan-4-yl)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminooxan-4-yl)propanoic acid is sourced from PubChem (CID 82411654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).