2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid

C11H17NO5 — CID 117011247

IUPAC2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid
SMILESO=C(O)CC1CCOC(=O)N1CC1CCCO1
InChIInChI=1S/C11H17NO5/c13-10(14)6-8-3-5-17-11(15)12(8)7-9-2-1-4-16-9/h8-9H,1-7H2,(H,13,14)
InChIKeyOKJQVSGREZIHHG-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.85
Rot. Bonds4

About 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid

2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid (PubChem CID 117011247) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid
PubChem CID117011247
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid
SMILESO=C(O)CC1CCOC(=O)N1CC1CCCO1
InChIInChI=1S/C11H17NO5/c13-10(14)6-8-3-5-17-11(15)12(8)7-9-2-1-4-16-9/h8-9H,1-7H2,(H,13,14)
InChIKeyOKJQVSGREZIHHG-UHFFFAOYSA-N
XLogP0.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
CID 117011235
2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011044
2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011250
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
2-[3-(4-bromo-2-methylphenyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011288
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61439282
2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
CID 93332934
2-[(5S)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 1280321

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid (CID 117011247) is 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid is O=C(O)CC1CCOC(=O)N1CC1CCCO1.
What is the InChIKey of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid?
The InChIKey is OKJQVSGREZIHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-10(14)6-8-3-5-17-11(15)12(8)7-9-2-1-4-16-9/h8-9H,1-7H2,(H,13,14).
What are the key properties of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid?
2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid is sourced from PubChem (CID 117011247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).