CID 135081778

C11H20NO3 — CID 135081778

IUPAC—
SMILESCCC[CH]C(=O)N1[C@H](OC)CC[C@H]1OC
InChIInChI=1S/C11H20NO3/c1-4-5-6-9(13)12-10(14-2)7-8-11(12)15-3/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyGMWZJRNLWWRMJY-GHMZBOCLSA-N
MW214.28 g/mol
LogP1.56
Rot. Bonds5

About CID 135081778

CID 135081778 (PubChem CID 135081778) has the molecular formula C11H20NO3 and a molecular weight of 214.28 g/mol.

Molecular Properties

Compound NameCID 135081778
PubChem CID135081778
Molecular FormulaC11H20NO3
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name—
SMILESCCC[CH]C(=O)N1[C@H](OC)CC[C@H]1OC
InChIInChI=1S/C11H20NO3/c1-4-5-6-9(13)12-10(14-2)7-8-11(12)15-3/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyGMWZJRNLWWRMJY-GHMZBOCLSA-N
XLogP1.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 135081778?
The IUPAC name of CID 135081778 (CID 135081778) is not available.
What is the SMILES notation for CID 135081778?
The canonical SMILES for CID 135081778 is CCC[CH]C(=O)N1[C@H](OC)CC[C@H]1OC.
What is the InChIKey of CID 135081778?
The InChIKey is GMWZJRNLWWRMJY-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20NO3/c1-4-5-6-9(13)12-10(14-2)7-8-11(12)15-3/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of CID 135081778?
CID 135081778 has a molecular weight of 214.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081778 is sourced from PubChem (CID 135081778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).