2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid

C11H17NO5 — CID 117011044

IUPAC2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CCCO2)C(=O)O1
InChIInChI=1S/C11H17NO5/c13-10(14)6-8-3-4-12(11(15)17-8)7-9-2-1-5-16-9/h8-9H,1-7H2,(H,13,14)
InChIKeyKOANQCMZAGKTLM-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.85
Rot. Bonds4

About 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid

2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid (PubChem CID 117011044) 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-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
PubChem CID117011044
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CCCO2)C(=O)O1
InChIInChI=1S/C11H17NO5/c13-10(14)6-8-3-4-12(11(15)17-8)7-9-2-1-5-16-9/h8-9H,1-7H2,(H,13,14)
InChIKeyKOANQCMZAGKTLM-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-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-4-yl]acetic acid
CID 117011247
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
CID 117011037
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011050
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
4-[5-oxo-4-(oxolan-2-ylmethyl)morpholin-2-yl]butanoic acid
CID 112519843
4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 168687103

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid (CID 117011044) is 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid is O=C(O)CC1CCN(CC2CCCO2)C(=O)O1.
What is the InChIKey of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
The InChIKey is KOANQCMZAGKTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-10(14)6-8-3-4-12(11(15)17-8)7-9-2-1-5-16-9/h8-9H,1-7H2,(H,13,14).
What are the key properties of 2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
2-[2-oxo-3-(oxolan-2-ylmethyl)-1,3-oxazinan-6-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-6-yl]acetic acid is sourced from PubChem (CID 117011044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).