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

C12H14N2O4 — CID 117011050

IUPAC2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2ccccn2)C(=O)O1
InChIInChI=1S/C12H14N2O4/c15-11(16)7-10-4-6-14(12(17)18-10)8-9-3-1-2-5-13-9/h1-3,5,10H,4,6-8H2,(H,15,16)
InChIKeyGWYVLEAOFTXTTN-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.27
Rot. Bonds4

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

2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid (PubChem CID 117011050) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
PubChem CID117011050
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2ccccn2)C(=O)O1
InChIInChI=1S/C12H14N2O4/c15-11(16)7-10-4-6-14(12(17)18-10)8-9-3-1-2-5-13-9/h1-3,5,10H,4,6-8H2,(H,15,16)
InChIKeyGWYVLEAOFTXTTN-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117274608
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
CID 117025535
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
2-[(3R,6S)-2-hydroxy-3-[(2-pyridin-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid
CID 158738551
1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60838604
(6R)-6-(aminomethyl)-4-(pyridin-2-ylmethyl)morpholin-3-one
CID 42078812
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
(3R)-4-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125419089
5-oxo-N-[4-(piperidine-1-carbonyl)cyclohexyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 169418251
4-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 126791996

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid (CID 117011050) is 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid is O=C(O)CC1CCN(Cc2ccccn2)C(=O)O1.
What is the InChIKey of 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
The InChIKey is GWYVLEAOFTXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11(16)7-10-4-6-14(12(17)18-10)8-9-3-1-2-5-13-9/h1-3,5,10H,4,6-8H2,(H,15,16).
What are the key properties of 2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid?
2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 1.27, 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-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid is sourced from PubChem (CID 117011050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).