CID 10568327

C11H14NO3 — CID 10568327

IUPAC—
SMILESCOC(=O)[C@@H]1C[C@@H]([C]2[CH][CH][CH][CH]2)N(C)O1
InChIInChI=1S/C11H14NO3/c1-12-9(8-5-3-4-6-8)7-10(15-12)11(13)14-2/h3-6,9-10H,7H2,1-2H3/t9-,10-/m0/s1
InChIKeyKEFHXPMCYXOBPW-UWVGGRQHSA-N
MW208.24 g/mol
LogP0.57
Rot. Bonds2

About CID 10568327

CID 10568327 (PubChem CID 10568327) has the molecular formula C11H14NO3 and a molecular weight of 208.24 g/mol.

Molecular Properties

Compound NameCID 10568327
PubChem CID10568327
Molecular FormulaC11H14NO3
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name—
SMILESCOC(=O)[C@@H]1C[C@@H]([C]2[CH][CH][CH][CH]2)N(C)O1
InChIInChI=1S/C11H14NO3/c1-12-9(8-5-3-4-6-8)7-10(15-12)11(13)14-2/h3-6,9-10H,7H2,1-2H3/t9-,10-/m0/s1
InChIKeyKEFHXPMCYXOBPW-UWVGGRQHSA-N
XLogP0.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 10568327?
The IUPAC name of CID 10568327 (CID 10568327) is not available.
What is the SMILES notation for CID 10568327?
The canonical SMILES for CID 10568327 is COC(=O)[C@@H]1C[C@@H]([C]2[CH][CH][CH][CH]2)N(C)O1.
What is the InChIKey of CID 10568327?
The InChIKey is KEFHXPMCYXOBPW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H14NO3/c1-12-9(8-5-3-4-6-8)7-10(15-12)11(13)14-2/h3-6,9-10H,7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of CID 10568327?
CID 10568327 has a molecular weight of 208.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10568327 is sourced from PubChem (CID 10568327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).