1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid

C15H20N2O3 — CID 106742931

IUPAC1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-10-9-12(15(19)20)7-8-17(10)14(18)13(16)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,16H2,1H3,(H,19,20)
InChIKeyFILFMCXBFDYNRE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.40
Rot. Bonds3

About 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid

1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742931) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742931
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-10-9-12(15(19)20)7-8-17(10)14(18)13(16)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,16H2,1H3,(H,19,20)
InChIKeyFILFMCXBFDYNRE-UHFFFAOYSA-N
XLogP1.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid (CID 106742931) is 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)C(N)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is FILFMCXBFDYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-9-12(15(19)20)7-8-17(10)14(18)13(16)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,16H2,1H3,(H,19,20).
What are the key properties of 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).