2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid

C16H20N2O3 — CID 79370152

IUPAC2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1NCCc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-10-12(16(20)21)7-9-18(10)15(19)14-13-5-3-2-4-11(13)6-8-17-14/h2-5,10,12,14,17H,6-9H2,1H3,(H,20,21)
InChIKeyGEYFNGJROADMEJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.20
Rot. Bonds2

About 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79370152) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79370152
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1NCCc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-10-12(16(20)21)7-9-18(10)15(19)14-13-5-3-2-4-11(13)6-8-17-14/h2-5,10,12,14,17H,6-9H2,1H3,(H,20,21)
InChIKeyGEYFNGJROADMEJ-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 107217931
(3R)-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)piperidine-3-carboxylic acid
CID 81127897
[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 63978237
3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144521
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone
CID 99849919
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364197
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364209
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
CID 83679707
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 79370152) is 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C1NCCc2ccccc21.
What is the InChIKey of 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GEYFNGJROADMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-12(16(20)21)7-9-18(10)15(19)14-13-5-3-2-4-11(13)6-8-17-14/h2-5,10,12,14,17H,6-9H2,1H3,(H,20,21).
What are the key properties of 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).