1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H20N2O3 — CID 119904532

IUPAC1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1CNC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-11-4-2-3-5-12(11)8-16-14(18)10-17-7-6-13(9-17)15(19)20/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyYEYFWCQVQZXQJN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds5

About 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 119904532) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID119904532
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1CNC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-11-4-2-3-5-12(11)8-16-14(18)10-17-7-6-13(9-17)15(19)20/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyYEYFWCQVQZXQJN-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904533
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-1,4-diazepane-6-carboxylic acid
CID 74231746
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351669
N-(5-bromo-2-pyridinyl)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60548150
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 119904532) is 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is Cc1ccccc1CNC(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YEYFWCQVQZXQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-2-3-5-12(11)8-16-14(18)10-17-7-6-13(9-17)15(19)20/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119904532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).