2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid

C8H13NO4 — CID 62670090

IUPAC2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
SMILESCC(CN1CCCOC1=O)C(=O)O
InChIInChI=1S/C8H13NO4/c1-6(7(10)11)5-9-3-2-4-13-8(9)12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyVCKCZQKMWAHKIF-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.55
Rot. Bonds3

About 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid

2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid (PubChem CID 62670090) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
PubChem CID62670090
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid
SMILESCC(CN1CCCOC1=O)C(=O)O
InChIInChI=1S/C8H13NO4/c1-6(7(10)11)5-9-3-2-4-13-8(9)12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyVCKCZQKMWAHKIF-UHFFFAOYSA-N
XLogP0.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid (CID 62670090) is 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid is CC(CN1CCCOC1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
The InChIKey is VCKCZQKMWAHKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(7(10)11)5-9-3-2-4-13-8(9)12/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid?
2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid has a molecular weight of 187.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-1,3-oxazinan-3-yl)propanoic acid is sourced from PubChem (CID 62670090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).