CID 51033119

C13H21N2O3 — CID 51033119

IUPAC—
SMILESCC(=O)N1CCC2(CC1)CC(=O)CC(C)(C)N2[O]
InChIInChI=1S/C13H21N2O3/c1-10(16)14-6-4-13(5-7-14)9-11(17)8-12(2,3)15(13)18/h4-9H2,1-3H3
InChIKeyHXKRYVGWTMFBKP-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.16
Rot. Bonds

About CID 51033119

CID 51033119 (PubChem CID 51033119) has the molecular formula C13H21N2O3 and a molecular weight of 253.32 g/mol.

Molecular Properties

Compound NameCID 51033119
PubChem CID51033119
Molecular FormulaC13H21N2O3
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name—
SMILESCC(=O)N1CCC2(CC1)CC(=O)CC(C)(C)N2[O]
InChIInChI=1S/C13H21N2O3/c1-10(16)14-6-4-13(5-7-14)9-11(17)8-12(2,3)15(13)18/h4-9H2,1-3H3
InChIKeyHXKRYVGWTMFBKP-UHFFFAOYSA-N
XLogP1.16
TPSA60.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 51033119 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 51033119?
The IUPAC name of CID 51033119 (CID 51033119) is not available.
What is the SMILES notation for CID 51033119?
The canonical SMILES for CID 51033119 is CC(=O)N1CCC2(CC1)CC(=O)CC(C)(C)N2[O].
What is the InChIKey of CID 51033119?
The InChIKey is HXKRYVGWTMFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O3/c1-10(16)14-6-4-13(5-7-14)9-11(17)8-12(2,3)15(13)18/h4-9H2,1-3H3.
What are the key properties of CID 51033119?
CID 51033119 has a molecular weight of 253.32 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 51033119 is sourced from PubChem (CID 51033119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).