1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid

C13H24N2O3 — CID 106976148

IUPAC1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CCCNC
InChIInChI=1S/C13H24N2O3/c1-3-7-13(12(17)18)8-5-10-15(13)11(16)6-4-9-14-2/h14H,3-10H2,1-2H3,(H,17,18)
InChIKeyBMADESWWRWHEFS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds7

About 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976148) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976148
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CCCNC
InChIInChI=1S/C13H24N2O3/c1-3-7-13(12(17)18)8-5-10-15(13)11(16)6-4-9-14-2/h14H,3-10H2,1-2H3,(H,17,18)
InChIKeyBMADESWWRWHEFS-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976023
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-[(5-amino-5-oxopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106238959
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978650
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977237

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106976148) is 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)CCCNC.
What is the InChIKey of 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is BMADESWWRWHEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-7-13(12(17)18)8-5-10-15(13)11(16)6-4-9-14-2/h14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).