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

C12H14N2O4 — CID 117002153

IUPAC2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid
SMILESO=C(O)CC1COC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C12H14N2O4/c15-11(16)4-10-7-14(12(17)18-8-10)6-9-2-1-3-13-5-9/h1-3,5,10H,4,6-8H2,(H,15,16)
InChIKeyOLEULLCTAGNJFH-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.12
Rot. Bonds4

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

2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid (PubChem CID 117002153) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid
PubChem CID117002153
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid
SMILESO=C(O)CC1COC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C12H14N2O4/c15-11(16)4-10-7-14(12(17)18-8-10)6-9-2-1-3-13-5-9/h1-3,5,10H,4,6-8H2,(H,15,16)
InChIKeyOLEULLCTAGNJFH-UHFFFAOYSA-N
XLogP1.12
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazinan-5-yl]acetic acid
CID 117002150
2-(3-ethyl-2-oxo-1,3-oxazinan-5-yl)acetic acid
CID 117002133
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
2-[8-(2-pyridin-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79612482
5-(methylaminomethyl)-3-(pyridin-4-ylmethyl)-1,3-oxazinan-2-one
CID 117002311
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851590
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
2-(pyridin-3-ylmethyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80732544
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid (CID 117002153) is 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid is O=C(O)CC1COC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid?
The InChIKey is OLEULLCTAGNJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11(16)4-10-7-14(12(17)18-8-10)6-9-2-1-3-13-5-9/h1-3,5,10H,4,6-8H2,(H,15,16).
What are the key properties of 2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid?
2-[2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 1.12, 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-(pyridin-3-ylmethyl)-1,3-oxazinan-5-yl]acetic acid is sourced from PubChem (CID 117002153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).