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

C15H20N2O3 — CID 106312511

IUPAC1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCC(C(=O)O)C2C)cc1
InChIInChI=1S/C15H20N2O3/c1-9-3-5-11(6-4-9)13(16)14(18)17-8-7-12(10(17)2)15(19)20/h3-6,10,12-13H,7-8,16H2,1-2H3,(H,19,20)
InChIKeyHYISPUQPLUTESQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds3

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

1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 106312511) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID106312511
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2CCC(C(=O)O)C2C)cc1
InChIInChI=1S/C15H20N2O3/c1-9-3-5-11(6-4-9)13(16)14(18)17-8-7-12(10(17)2)15(19)20/h3-6,10,12-13H,7-8,16H2,1-2H3,(H,19,20)
InChIKeyHYISPUQPLUTESQ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
1-[2-amino-2-(4-methylphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 106312835
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491
1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 80546825
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106312449
(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106312428
(2S,3S)-2-methyl-1-[2-methyl-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122116521
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
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methylphenyl)ethanone
CID 106312752

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid (CID 106312511) is 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid is Cc1ccc(C(N)C(=O)N2CCC(C(=O)O)C2C)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HYISPUQPLUTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-3-5-11(6-4-9)13(16)14(18)17-8-7-12(10(17)2)15(19)20/h3-6,10,12-13H,7-8,16H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.32, 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]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106312511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).