2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid

C10H17NO3 — CID 114594573

IUPAC2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
SMILESCC1CC(C)C(C)N(C(=O)C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-6-4-7(2)8(3)11(5-6)9(12)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyIDMFQRDKNSDOGZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.96
Rot. Bonds

About 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid

2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid (PubChem CID 114594573) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
PubChem CID114594573
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
SMILESCC1CC(C)C(C)N(C(=O)C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-6-4-7(2)8(3)11(5-6)9(12)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyIDMFQRDKNSDOGZ-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid 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 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid (CID 114594573) is 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid is CC1CC(C)C(C)N(C(=O)C(=O)O)C1.
What is the InChIKey of 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
The InChIKey is IDMFQRDKNSDOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-4-7(2)8(3)11(5-6)9(12)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid?
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid has a molecular weight of 199.25 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 114594573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).