2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid

C7H12N2O4 — CID 139512327

IUPAC2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
SMILESO=C(O)NCCN1CCCOC1=O
InChIInChI=1S/C7H12N2O4/c10-6(11)8-2-4-9-3-1-5-13-7(9)12/h8H,1-5H2,(H,10,11)
InChIKeyLFQKITWFKWPLTF-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.10
Rot. Bonds3

About 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid

2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid (PubChem CID 139512327) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
PubChem CID139512327
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
SMILESO=C(O)NCCN1CCCOC1=O
InChIInChI=1S/C7H12N2O4/c10-6(11)8-2-4-9-3-1-5-13-7(9)12/h8H,1-5H2,(H,10,11)
InChIKeyLFQKITWFKWPLTF-UHFFFAOYSA-N
XLogP0.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid?
The IUPAC name of 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid (CID 139512327) is 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid?
The canonical SMILES for 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid is O=C(O)NCCN1CCCOC1=O.
What is the InChIKey of 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid?
The InChIKey is LFQKITWFKWPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-6(11)8-2-4-9-3-1-5-13-7(9)12/h8H,1-5H2,(H,10,11).
What are the key properties of 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid?
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid has a molecular weight of 188.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid is sourced from PubChem (CID 139512327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).