2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid

C8H13NO4 — CID 117011235

IUPAC2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
SMILESCCN1C(=O)OCCC1CC(=O)O
InChIInChI=1S/C8H13NO4/c1-2-9-6(5-7(10)11)3-4-13-8(9)12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyRAJGFUIKMPHLBD-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.69
Rot. Bonds3

About 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid

2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid (PubChem CID 117011235) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
PubChem CID117011235
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
SMILESCCN1C(=O)OCCC1CC(=O)O
InChIInChI=1S/C8H13NO4/c1-2-9-6(5-7(10)11)3-4-13-8(9)12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyRAJGFUIKMPHLBD-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid
CID 117011247
4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
CID 117010887
2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011250
2-[3-(4-bromo-2-methylphenyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011288
4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010915
2-(7-chloro-4-ethyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetic acid
CID 121199748
2-[3-(3-cyanophenyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011291
2-(3-ethyl-2-oxo-1,3-oxazinan-5-yl)acetic acid
CID 117002133
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
CID 117011328
3-(3-cyclohexyl-2-oxo-1,3-oxazinan-4-yl)propanoic acid
CID 117011303
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060253
2-[3-(2-oxo-1,3-oxazolidin-3-yl)cyclopentyl]acetic acid
CID 130702570

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid (CID 117011235) is 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid is CCN1C(=O)OCCC1CC(=O)O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid?
The InChIKey is RAJGFUIKMPHLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-9-6(5-7(10)11)3-4-13-8(9)12/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid?
2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid has a molecular weight of 187.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid is sourced from PubChem (CID 117011235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).