1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid

C16H22N2O3 — CID 106312835

IUPAC1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCCC(C)C2C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-10-5-7-12(8-6-10)13(17)15(19)18-9-3-4-11(2)14(18)16(20)21/h5-8,11,13-14H,3-4,9,17H2,1-2H3,(H,20,21)
InChIKeyDQBCJOSGJBCBNK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds3

About 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid

1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 106312835) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID106312835
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCCC(C)C2C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-10-5-7-12(8-6-10)13(17)15(19)18-9-3-4-11(2)14(18)16(20)21/h5-8,11,13-14H,3-4,9,17H2,1-2H3,(H,20,21)
InChIKeyDQBCJOSGJBCBNK-UHFFFAOYSA-N
XLogP1.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491
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
2-amino-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-methylphenyl)ethanone
CID 106151725
2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methylphenyl)ethanone
CID 106312752
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342
3-methyl-1-[(4-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071273
2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312033
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106312428

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid (CID 106312835) is 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid is Cc1ccc(C(N)C(=O)N2CCCC(C)C2C(=O)O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is DQBCJOSGJBCBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-5-7-12(8-6-10)13(17)15(19)18-9-3-4-11(2)14(18)16(20)21/h5-8,11,13-14H,3-4,9,17H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.71, 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-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 106312835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).