tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid

C10H17NO3 — CID 130431191

IUPACtert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CC2OC2C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)11(9(12)13)6-4-7-8(5-6)14-7/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyLHNACWILRDBVOF-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.69
Rot. Bonds1

About tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid

tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid (PubChem CID 130431191) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
PubChem CID130431191
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CC2OC2C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)11(9(12)13)6-4-7-8(5-6)14-7/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyLHNACWILRDBVOF-UHFFFAOYSA-N
XLogP1.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid?
The IUPAC name of tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid (CID 130431191) is tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid.
What is the SMILES notation for tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid?
The canonical SMILES for tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid is CC(C)(C)N(C(=O)O)C1CC2OC2C1.
What is the InChIKey of tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid?
The InChIKey is LHNACWILRDBVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)11(9(12)13)6-4-7-8(5-6)14-7/h6-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid?
tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid has a molecular weight of 199.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid is sourced from PubChem (CID 130431191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).