2-methyl-2-(oxazin-2-yl)butanoic acid

C9H13NO3 — CID 118169292

IUPAC2-methyl-2-(oxazin-2-yl)butanoic acid
SMILESCCC(C)(C(=O)O)N1C=CC=CO1
InChIInChI=1S/C9H13NO3/c1-3-9(2,8(11)12)10-6-4-5-7-13-10/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeySTOIARHAYAQODF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.51
Rot. Bonds3

About 2-methyl-2-(oxazin-2-yl)butanoic acid

2-methyl-2-(oxazin-2-yl)butanoic acid (PubChem CID 118169292) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-2-(oxazin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxazin-2-yl)butanoic acid
PubChem CID118169292
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-methyl-2-(oxazin-2-yl)butanoic acid
SMILESCCC(C)(C(=O)O)N1C=CC=CO1
InChIInChI=1S/C9H13NO3/c1-3-9(2,8(11)12)10-6-4-5-7-13-10/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeySTOIARHAYAQODF-UHFFFAOYSA-N
XLogP1.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(oxazin-2-yloxy)-3-oxopropanoic acid
CID 118169284
(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid
CID 101073962
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid
CID 79801551
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-methylbutanoic acid
CID 104962858
azane;2,2-diethylbutanoic acid
CID 173369262
2-propyloxazine
CID 22999540
2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
CID 79801474
2-(2,5-dimethylpyrrol-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 131049022
2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid
CID 175473745
2-bromo-2-(3-methylhexan-3-yl)propanedioic acid
CID 150015751
2,2-diethyl-4,4-dimethyl-3-oxopentanoic acid
CID 58961056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxazin-2-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(oxazin-2-yl)butanoic acid (CID 118169292) is 2-methyl-2-(oxazin-2-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(oxazin-2-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(oxazin-2-yl)butanoic acid is CCC(C)(C(=O)O)N1C=CC=CO1.
What is the InChIKey of 2-methyl-2-(oxazin-2-yl)butanoic acid?
The InChIKey is STOIARHAYAQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-9(2,8(11)12)10-6-4-5-7-13-10/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(oxazin-2-yl)butanoic acid?
2-methyl-2-(oxazin-2-yl)butanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxazin-2-yl)butanoic acid is sourced from PubChem (CID 118169292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).