tert-butyl-(2-oxooxolan-3-yl)carbamic acid

C9H15NO4 — CID 53435724

IUPACtert-butyl-(2-oxooxolan-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)10(8(12)13)6-4-5-14-7(6)11/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyHNIVHNKHDSKESP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.08
Rot. Bonds1

About tert-butyl-(2-oxooxolan-3-yl)carbamic acid

tert-butyl-(2-oxooxolan-3-yl)carbamic acid (PubChem CID 53435724) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is tert-butyl-(2-oxooxolan-3-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(2-oxooxolan-3-yl)carbamic acid
PubChem CID53435724
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametert-butyl-(2-oxooxolan-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)10(8(12)13)6-4-5-14-7(6)11/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyHNIVHNKHDSKESP-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-oxooxolan-3-yl)carbamic acid?
The IUPAC name of tert-butyl-(2-oxooxolan-3-yl)carbamic acid (CID 53435724) is tert-butyl-(2-oxooxolan-3-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(2-oxooxolan-3-yl)carbamic acid?
The canonical SMILES for tert-butyl-(2-oxooxolan-3-yl)carbamic acid is CC(C)(C)N(C(=O)O)C1CCOC1=O.
What is the InChIKey of tert-butyl-(2-oxooxolan-3-yl)carbamic acid?
The InChIKey is HNIVHNKHDSKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)10(8(12)13)6-4-5-14-7(6)11/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl-(2-oxooxolan-3-yl)carbamic acid?
tert-butyl-(2-oxooxolan-3-yl)carbamic acid has a molecular weight of 201.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-oxooxolan-3-yl)carbamic acid is sourced from PubChem (CID 53435724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).