2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid

C10H18N2O3 — CID 83023031

IUPAC2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(C)(C(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-10(2,9(14)15)8(13)11-12-6-4-3-5-7-12/h3-7H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyGCRRGQBWALZDON-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.61
Rot. Bonds3

About 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid

2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid (PubChem CID 83023031) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
PubChem CID83023031
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(C)(C(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C10H18N2O3/c1-10(2,9(14)15)8(13)11-12-6-4-3-5-7-12/h3-7H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyGCRRGQBWALZDON-UHFFFAOYSA-N
XLogP0.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid (CID 83023031) is 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid is CC(C)(C(=O)O)C(=O)NN1CCCCC1.
What is the InChIKey of 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The InChIKey is GCRRGQBWALZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,9(14)15)8(13)11-12-6-4-3-5-7-12/h3-7H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid is sourced from PubChem (CID 83023031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).