3-amino-3-(oxan-4-yl)butanoic acid

C9H17NO3 — CID 83697313

IUPAC3-amino-3-(oxan-4-yl)butanoic acid
SMILESCC(N)(CC(=O)O)C1CCOCC1
InChIInChI=1S/C9H17NO3/c1-9(10,6-8(11)12)7-2-4-13-5-3-7/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyYRJLKBBTNGXQFN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.61
Rot. Bonds3

About 3-amino-3-(oxan-4-yl)butanoic acid

3-amino-3-(oxan-4-yl)butanoic acid (PubChem CID 83697313) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-amino-3-(oxan-4-yl)butanoic acid.

Molecular Properties

Compound Name3-amino-3-(oxan-4-yl)butanoic acid
PubChem CID83697313
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-amino-3-(oxan-4-yl)butanoic acid
SMILESCC(N)(CC(=O)O)C1CCOCC1
InChIInChI=1S/C9H17NO3/c1-9(10,6-8(11)12)7-2-4-13-5-3-7/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyYRJLKBBTNGXQFN-UHFFFAOYSA-N
XLogP0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(oxan-4-yl)butanoic acid?
The IUPAC name of 3-amino-3-(oxan-4-yl)butanoic acid (CID 83697313) is 3-amino-3-(oxan-4-yl)butanoic acid.
What is the SMILES notation for 3-amino-3-(oxan-4-yl)butanoic acid?
The canonical SMILES for 3-amino-3-(oxan-4-yl)butanoic acid is CC(N)(CC(=O)O)C1CCOCC1.
What is the InChIKey of 3-amino-3-(oxan-4-yl)butanoic acid?
The InChIKey is YRJLKBBTNGXQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(10,6-8(11)12)7-2-4-13-5-3-7/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-3-(oxan-4-yl)butanoic acid?
3-amino-3-(oxan-4-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(oxan-4-yl)butanoic acid is sourced from PubChem (CID 83697313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).