2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid

C12H14N2O3 — CID 43831623

IUPAC2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
SMILESO=C(O)CN1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c15-11(16)9-13-7-4-8-14(12(13)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,16)
InChIKeyNBJVCTZPIZPZCJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.40
Rot. Bonds3

About 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid

2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid (PubChem CID 43831623) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
PubChem CID43831623
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
SMILESO=C(O)CN1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c15-11(16)9-13-7-4-8-14(12(13)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,16)
InChIKeyNBJVCTZPIZPZCJ-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid (CID 43831623) is 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid is O=C(O)CN1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid?
The InChIKey is NBJVCTZPIZPZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(16)9-13-7-4-8-14(12(13)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,16).
What are the key properties of 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid?
2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid has a molecular weight of 234.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid is sourced from PubChem (CID 43831623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).