oxan-3-ylcarbamic acid

C6H11NO3 — CID 68631624

IUPACoxan-3-ylcarbamic acid
SMILESO=C(O)NC1CCCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)7-5-2-1-3-10-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyWAKDLOFZBIGQDW-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.43
Rot. Bonds1

About oxan-3-ylcarbamic acid

oxan-3-ylcarbamic acid (PubChem CID 68631624) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is oxan-3-ylcarbamic acid.

Molecular Properties

Compound Nameoxan-3-ylcarbamic acid
PubChem CID68631624
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameoxan-3-ylcarbamic acid
SMILESO=C(O)NC1CCCOC1
InChIInChI=1S/C6H11NO3/c8-6(9)7-5-2-1-3-10-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyWAKDLOFZBIGQDW-UHFFFAOYSA-N
XLogP0.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-3-ylcarbamic acid?
The IUPAC name of oxan-3-ylcarbamic acid (CID 68631624) is oxan-3-ylcarbamic acid.
What is the SMILES notation for oxan-3-ylcarbamic acid?
The canonical SMILES for oxan-3-ylcarbamic acid is O=C(O)NC1CCCOC1.
What is the InChIKey of oxan-3-ylcarbamic acid?
The InChIKey is WAKDLOFZBIGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(9)7-5-2-1-3-10-4-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of oxan-3-ylcarbamic acid?
oxan-3-ylcarbamic acid has a molecular weight of 145.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylcarbamic acid is sourced from PubChem (CID 68631624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).