(4-oxooxan-3-yl)carbamic acid

C6H9NO4 — CID 77441083

IUPAC(4-oxooxan-3-yl)carbamic acid
SMILESO=C(O)NC1COCCC1=O
InChIInChI=1S/C6H9NO4/c8-5-1-2-11-3-4(5)7-6(9)10/h4,7H,1-3H2,(H,9,10)
InChIKeyWYLDVDGLJSFPCG-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.39
Rot. Bonds1

About (4-oxooxan-3-yl)carbamic acid

(4-oxooxan-3-yl)carbamic acid (PubChem CID 77441083) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (4-oxooxan-3-yl)carbamic acid.

Molecular Properties

Compound Name(4-oxooxan-3-yl)carbamic acid
PubChem CID77441083
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(4-oxooxan-3-yl)carbamic acid
SMILESO=C(O)NC1COCCC1=O
InChIInChI=1S/C6H9NO4/c8-5-1-2-11-3-4(5)7-6(9)10/h4,7H,1-3H2,(H,9,10)
InChIKeyWYLDVDGLJSFPCG-UHFFFAOYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-oxooxan-3-yl)carbamic acid?
The IUPAC name of (4-oxooxan-3-yl)carbamic acid (CID 77441083) is (4-oxooxan-3-yl)carbamic acid.
What is the SMILES notation for (4-oxooxan-3-yl)carbamic acid?
The canonical SMILES for (4-oxooxan-3-yl)carbamic acid is O=C(O)NC1COCCC1=O.
What is the InChIKey of (4-oxooxan-3-yl)carbamic acid?
The InChIKey is WYLDVDGLJSFPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5-1-2-11-3-4(5)7-6(9)10/h4,7H,1-3H2,(H,9,10).
What are the key properties of (4-oxooxan-3-yl)carbamic acid?
(4-oxooxan-3-yl)carbamic acid has a molecular weight of 159.14 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxooxan-3-yl)carbamic acid is sourced from PubChem (CID 77441083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).