2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid

C11H19NO3 — CID 104679897

IUPAC2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
SMILESCC1CCCN(CC(C)(C)C(=O)O)C1=O
InChIInChI=1S/C11H19NO3/c1-8-5-4-6-12(9(8)13)7-11(2,3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyZUKHNNZWRXGMIF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds3

About 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid

2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid (PubChem CID 104679897) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
PubChem CID104679897
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
SMILESCC1CCCN(CC(C)(C)C(=O)O)C1=O
InChIInChI=1S/C11H19NO3/c1-8-5-4-6-12(9(8)13)7-11(2,3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyZUKHNNZWRXGMIF-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid (CID 104679897) is 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid is CC1CCCN(CC(C)(C)C(=O)O)C1=O.
What is the InChIKey of 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
The InChIKey is ZUKHNNZWRXGMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-5-4-6-12(9(8)13)7-11(2,3)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 104679897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).