2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid

C13H23NO2 — CID 82237816

IUPAC2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1(C)CCN(C(C)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H23NO2/c1-12(2)6-8-14(9-7-12)13(3,11(15)16)10-4-5-10/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyWMKCGXWSTXIKCN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

About 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid

2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid (PubChem CID 82237816) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid
PubChem CID82237816
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1(C)CCN(C(C)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H23NO2/c1-12(2)6-8-14(9-7-12)13(3,11(15)16)10-4-5-10/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyWMKCGXWSTXIKCN-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid (CID 82237816) is 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid is CC1(C)CCN(C(C)(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid?
The InChIKey is WMKCGXWSTXIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2)6-8-14(9-7-12)13(3,11(15)16)10-4-5-10/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid?
2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 82237816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).