tert-butyl(oxiran-2-yl)carbamic acid

C7H13NO3 — CID 151051342

IUPACtert-butyl(oxiran-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CO1
InChIInChI=1S/C7H13NO3/c1-7(2,3)8(6(9)10)5-4-11-5/h5H,4H2,1-3H3,(H,9,10)
InChIKeyMEEMXEQAKBAGRC-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.12
Rot. Bonds1

About tert-butyl(oxiran-2-yl)carbamic acid

tert-butyl(oxiran-2-yl)carbamic acid (PubChem CID 151051342) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is tert-butyl(oxiran-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(oxiran-2-yl)carbamic acid
PubChem CID151051342
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nametert-butyl(oxiran-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CO1
InChIInChI=1S/C7H13NO3/c1-7(2,3)8(6(9)10)5-4-11-5/h5H,4H2,1-3H3,(H,9,10)
InChIKeyMEEMXEQAKBAGRC-UHFFFAOYSA-N
XLogP1.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.12
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(oxiran-2-yl)carbamic acid?
The IUPAC name of tert-butyl(oxiran-2-yl)carbamic acid (CID 151051342) is tert-butyl(oxiran-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl(oxiran-2-yl)carbamic acid?
The canonical SMILES for tert-butyl(oxiran-2-yl)carbamic acid is CC(C)(C)N(C(=O)O)C1CO1.
What is the InChIKey of tert-butyl(oxiran-2-yl)carbamic acid?
The InChIKey is MEEMXEQAKBAGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,3)8(6(9)10)5-4-11-5/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of tert-butyl(oxiran-2-yl)carbamic acid?
tert-butyl(oxiran-2-yl)carbamic acid has a molecular weight of 159.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(oxiran-2-yl)carbamic acid is sourced from PubChem (CID 151051342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).