2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid

C14H17NO4 — CID 117002155

IUPAC2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid
SMILESO=C(O)CC1COC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)8-12-9-15(14(18)19-10-12)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyGJLLSYVKSHSRCP-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.77
Rot. Bonds5

About 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid

2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid (PubChem CID 117002155) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid
PubChem CID117002155
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid
SMILESO=C(O)CC1COC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)8-12-9-15(14(18)19-10-12)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyGJLLSYVKSHSRCP-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid
CID 117002153
2-(3-ethyl-2-oxo-1,3-oxazinan-5-yl)acetic acid
CID 117002133
2-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazinan-5-yl]acetic acid
CID 117002150
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
2-[3-(3-chlorophenyl)-2-oxo-1,3-oxazinan-5-yl]acetic acid
CID 117002175
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851820
6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
CID 117008961

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid (CID 117002155) is 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid is O=C(O)CC1COC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid?
The InChIKey is GJLLSYVKSHSRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)8-12-9-15(14(18)19-10-12)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17).
What are the key properties of 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid?
2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid is sourced from PubChem (CID 117002155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).