tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid

C12H18N2O3 — CID 67224536

IUPACtert-butyl(2-pyridin-2-yloxyethyl)carbamic acid
SMILESCC(C)(C)N(CCOc1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-12(2,3)14(11(15)16)8-9-17-10-6-4-5-7-13-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyQOTXCVLDQIYAHS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid

tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid (PubChem CID 67224536) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(2-pyridin-2-yloxyethyl)carbamic acid
PubChem CID67224536
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl(2-pyridin-2-yloxyethyl)carbamic acid
SMILESCC(C)(C)N(CCOc1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-12(2,3)14(11(15)16)8-9-17-10-6-4-5-7-13-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyQOTXCVLDQIYAHS-UHFFFAOYSA-N
XLogP2.24
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid?
The IUPAC name of tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid (CID 67224536) is tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid.
What is the SMILES notation for tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid?
The canonical SMILES for tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid is CC(C)(C)N(CCOc1ccccn1)C(=O)O.
What is the InChIKey of tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid?
The InChIKey is QOTXCVLDQIYAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)14(11(15)16)8-9-17-10-6-4-5-7-13-10/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid?
tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid has a molecular weight of 238.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-pyridin-2-yloxyethyl)carbamic acid is sourced from PubChem (CID 67224536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).