2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid

C11H11NO4 — CID 83849659

IUPAC2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
SMILESO=C(O)C1CCOC(=O)N1c1ccccc1
InChIInChI=1S/C11H11NO4/c13-10(14)9-6-7-16-11(15)12(9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyNEQNTUNIOBLDEJ-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.49
Rot. Bonds2

About 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid

2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid (PubChem CID 83849659) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
PubChem CID83849659
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
SMILESO=C(O)C1CCOC(=O)N1c1ccccc1
InChIInChI=1S/C11H11NO4/c13-10(14)9-6-7-16-11(15)12(9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyNEQNTUNIOBLDEJ-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 117010408
3-(2-bromo-4-methylphenyl)-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 117010421
methyl 3-(4-chlorophenyl)-2-oxo-1,3-oxazinane-4-carboxylate
CID 24976381
(2S)-1-phenylazetidine-2-carboxylic acid
CID 57017156
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
CID 129362731
2-[3-(3-cyanophenyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011291
3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011455
4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
CID 70198670
4-nitro-3-phenyl-1,3-oxazolidin-2-one
CID 54515958
(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid
CID 146572104
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid?
The IUPAC name of 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid (CID 83849659) is 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid?
The canonical SMILES for 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid is O=C(O)C1CCOC(=O)N1c1ccccc1.
What is the InChIKey of 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid?
The InChIKey is NEQNTUNIOBLDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-10(14)9-6-7-16-11(15)12(9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14).
What are the key properties of 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid?
2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid is sourced from PubChem (CID 83849659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).