benzyl-(5-oxooxan-3-yl)carbamic acid

C13H15NO4 — CID 175344374

IUPACbenzyl-(5-oxooxan-3-yl)carbamic acid
SMILESO=C1COCC(N(Cc2ccccc2)C(=O)O)C1
InChIInChI=1S/C13H15NO4/c15-12-6-11(8-18-9-12)14(13(16)17)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyLFWZIOZPNMIVBG-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.52
Rot. Bonds3

About benzyl-(5-oxooxan-3-yl)carbamic acid

benzyl-(5-oxooxan-3-yl)carbamic acid (PubChem CID 175344374) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is benzyl-(5-oxooxan-3-yl)carbamic acid.

Molecular Properties

Compound Namebenzyl-(5-oxooxan-3-yl)carbamic acid
PubChem CID175344374
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namebenzyl-(5-oxooxan-3-yl)carbamic acid
SMILESO=C1COCC(N(Cc2ccccc2)C(=O)O)C1
InChIInChI=1S/C13H15NO4/c15-12-6-11(8-18-9-12)14(13(16)17)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyLFWZIOZPNMIVBG-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl-(5-oxooxan-3-yl)carbamic acid?
The IUPAC name of benzyl-(5-oxooxan-3-yl)carbamic acid (CID 175344374) is benzyl-(5-oxooxan-3-yl)carbamic acid.
What is the SMILES notation for benzyl-(5-oxooxan-3-yl)carbamic acid?
The canonical SMILES for benzyl-(5-oxooxan-3-yl)carbamic acid is O=C1COCC(N(Cc2ccccc2)C(=O)O)C1.
What is the InChIKey of benzyl-(5-oxooxan-3-yl)carbamic acid?
The InChIKey is LFWZIOZPNMIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12-6-11(8-18-9-12)14(13(16)17)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17).
What are the key properties of benzyl-(5-oxooxan-3-yl)carbamic acid?
benzyl-(5-oxooxan-3-yl)carbamic acid has a molecular weight of 249.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(5-oxooxan-3-yl)carbamic acid is sourced from PubChem (CID 175344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).