1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 106981476

IUPAC1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOCCNCC(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-10(2)13(12(17)18)4-6-15(9-13)11(16)8-14-5-7-19-3/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyBIGGGJFSKZYHPJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.18
Rot. Bonds7

About 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106981476) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106981476
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOCCNCC(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-10(2)13(12(17)18)4-6-15(9-13)11(16)8-14-5-7-19-3/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyBIGGGJFSKZYHPJ-UHFFFAOYSA-N
XLogP0.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984303
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624
1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 79282003
1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982524
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyethylamino)ethanone
CID 79282191
1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119789092
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106981476) is 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is COCCNCC(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is BIGGGJFSKZYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)13(12(17)18)4-6-15(9-13)11(16)8-14-5-7-19-3/h10,14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106981476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).