1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 80546825

IUPAC1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(C(=O)O)C1C)C(N)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-10(14(17)12-6-4-3-5-7-12)15(19)18-9-8-13(11(18)2)16(20)21/h3-7,10-11,13-14H,8-9,17H2,1-2H3,(H,20,21)
InChIKeyAAPVHBDLXIKETH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.64
Rot. Bonds4

About 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid

1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 80546825) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID80546825
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCC(C(=O)O)C1C)C(N)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-10(14(17)12-6-4-3-5-7-12)15(19)18-9-8-13(11(18)2)16(20)21/h3-7,10-11,13-14H,8-9,17H2,1-2H3,(H,20,21)
InChIKeyAAPVHBDLXIKETH-UHFFFAOYSA-N
XLogP1.64
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.64
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-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 106312511
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
3-amino-2-methyl-1-(3-methylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119785840
3-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 80551725
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
CID 119685223
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
3-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-3-phenylpropan-1-one
CID 80552145

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid (CID 80546825) is 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid is CC(C(=O)N1CCC(C(=O)O)C1C)C(N)c1ccccc1.
What is the InChIKey of 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is AAPVHBDLXIKETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(14(17)12-6-4-3-5-7-12)15(19)18-9-8-13(11(18)2)16(20)21/h3-7,10-11,13-14H,8-9,17H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 80546825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).