2-methyl-3-(oxazinan-2-yl)propanoic acid

C8H15NO3 — CID 84732003

IUPAC2-methyl-3-(oxazinan-2-yl)propanoic acid
SMILESCC(CN1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-7(8(10)11)6-9-4-2-3-5-12-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyJYXVKHQTKKICMQ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.73
Rot. Bonds3

About 2-methyl-3-(oxazinan-2-yl)propanoic acid

2-methyl-3-(oxazinan-2-yl)propanoic acid (PubChem CID 84732003) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-methyl-3-(oxazinan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(oxazinan-2-yl)propanoic acid
PubChem CID84732003
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-methyl-3-(oxazinan-2-yl)propanoic acid
SMILESCC(CN1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-7(8(10)11)6-9-4-2-3-5-12-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyJYXVKHQTKKICMQ-UHFFFAOYSA-N
XLogP0.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxazinan-2-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(oxazinan-2-yl)propanoic acid (CID 84732003) is 2-methyl-3-(oxazinan-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(oxazinan-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(oxazinan-2-yl)propanoic acid is CC(CN1CCCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-(oxazinan-2-yl)propanoic acid?
The InChIKey is JYXVKHQTKKICMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(8(10)11)6-9-4-2-3-5-12-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-(oxazinan-2-yl)propanoic acid?
2-methyl-3-(oxazinan-2-yl)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxazinan-2-yl)propanoic acid is sourced from PubChem (CID 84732003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).