[(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride

C13H19ClN2O3 — CID 66997264

IUPAC[(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride
SMILESCc1cc(CC2OCC[C@H]2NC(=O)O)cc(C)n1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-8-5-10(6-9(2)14-8)7-12-11(3-4-18-12)15-13(16)17;/h5-6,11-12,15H,3-4,7H2,1-2H3,(H,16,17);1H/t11-,12?;/m1./s1
InChIKeyOOCFECZRBKYINX-BAVFUAOSSA-N
MW286.76 g/mol
LogP2.09
Rot. Bonds3

About [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride

[(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride (PubChem CID 66997264) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name[(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride
PubChem CID66997264
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name[(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride
SMILESCc1cc(CC2OCC[C@H]2NC(=O)O)cc(C)n1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-8-5-10(6-9(2)14-8)7-12-11(3-4-18-12)15-13(16)17;/h5-6,11-12,15H,3-4,7H2,1-2H3,(H,16,17);1H/t11-,12?;/m1./s1
InChIKeyOOCFECZRBKYINX-BAVFUAOSSA-N
XLogP2.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride?
The IUPAC name of [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride (CID 66997264) is [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride.
What is the SMILES notation for [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride?
The canonical SMILES for [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride is Cc1cc(CC2OCC[C@H]2NC(=O)O)cc(C)n1.Cl.
What is the InChIKey of [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride?
The InChIKey is OOCFECZRBKYINX-BAVFUAOSSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-8-5-10(6-9(2)14-8)7-12-11(3-4-18-12)15-13(16)17;/h5-6,11-12,15H,3-4,7H2,1-2H3,(H,16,17);1H/t11-,12?;/m1./s1.
What are the key properties of [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride?
[(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride is sourced from PubChem (CID 66997264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).