(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid

C15H20N2O3 — CID 106312491

IUPAC(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-5-7-11(8-6-10)13(16)14(18)17-9-3-2-4-12(17)15(19)20/h5-8,12-13H,2-4,9,16H2,1H3,(H,19,20)/t12-,13?/m1/s1
InChIKeyMAYRKLWCJJCVQW-PZORYLMUSA-N
MW276.34 g/mol
LogP1.46
Rot. Bonds3

About (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 106312491) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID106312491
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-5-7-11(8-6-10)13(16)14(18)17-9-3-2-4-12(17)15(19)20/h5-8,12-13H,2-4,9,16H2,1H3,(H,19,20)/t12-,13?/m1/s1
InChIKeyMAYRKLWCJJCVQW-PZORYLMUSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 106312835
2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methylphenyl)ethanone
CID 106312752
2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312033
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106312449
1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 106312511
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106312428
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid (CID 106312491) is (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid is Cc1ccc(C(N)C(=O)N2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is MAYRKLWCJJCVQW-PZORYLMUSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-7-11(8-6-10)13(16)14(18)17-9-3-2-4-12(17)15(19)20/h5-8,12-13H,2-4,9,16H2,1H3,(H,19,20)/t12-,13?/m1/s1.
What are the key properties of (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 106312491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).