3-(2-aminooxan-3-yl)propanoic acid

C8H15NO3 — CID 141000194

IUPAC3-(2-aminooxan-3-yl)propanoic acid
SMILESNC1OCCCC1CCC(=O)O
InChIInChI=1S/C8H15NO3/c9-8-6(2-1-5-12-8)3-4-7(10)11/h6,8H,1-5,9H2,(H,10,11)
InChIKeyDYEUPIRRZWJVOZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.56
Rot. Bonds3

About 3-(2-aminooxan-3-yl)propanoic acid

3-(2-aminooxan-3-yl)propanoic acid (PubChem CID 141000194) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-(2-aminooxan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-aminooxan-3-yl)propanoic acid
PubChem CID141000194
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-(2-aminooxan-3-yl)propanoic acid
SMILESNC1OCCCC1CCC(=O)O
InChIInChI=1S/C8H15NO3/c9-8-6(2-1-5-12-8)3-4-7(10)11/h6,8H,1-5,9H2,(H,10,11)
InChIKeyDYEUPIRRZWJVOZ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(carboxymethyl)cyclopentyl]propanoic acid
CID 13359518
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
7-(oxolan-2-yl)heptanoic acid
CID 174977398
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
5-(oxolan-2-yl)pentanamide
CID 67128385
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
3-(4-amino-1-methylpyrrolidin-3-yl)propanoic acid
CID 105435135
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275
4-(2-amino-3-hydroxycyclohexyl)butanoic acid
CID 163221531
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxan-3-yl)propanoic acid?
The IUPAC name of 3-(2-aminooxan-3-yl)propanoic acid (CID 141000194) is 3-(2-aminooxan-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-aminooxan-3-yl)propanoic acid?
The canonical SMILES for 3-(2-aminooxan-3-yl)propanoic acid is NC1OCCCC1CCC(=O)O.
What is the InChIKey of 3-(2-aminooxan-3-yl)propanoic acid?
The InChIKey is DYEUPIRRZWJVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-8-6(2-1-5-12-8)3-4-7(10)11/h6,8H,1-5,9H2,(H,10,11).
What are the key properties of 3-(2-aminooxan-3-yl)propanoic acid?
3-(2-aminooxan-3-yl)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxan-3-yl)propanoic acid is sourced from PubChem (CID 141000194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).