1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 103155845

IUPAC1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CC(CN)OC)C1
InChIInChI=1S/C13H24N2O4/c1-3-4-13(12(17)18)5-6-15(9-13)11(16)7-10(8-14)19-2/h10H,3-9,14H2,1-2H3,(H,17,18)
InChIKeyOCUQLSMNNGKEQB-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.45
Rot. Bonds7

About 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 103155845) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID103155845
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CC(CN)OC)C1
InChIInChI=1S/C13H24N2O4/c1-3-4-13(12(17)18)5-6-15(9-13)11(16)7-10(8-14)19-2/h10H,3-9,14H2,1-2H3,(H,17,18)
InChIKeyOCUQLSMNNGKEQB-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145413
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
CID 82012183
1-(3-methylsulfonylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146034
1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 81079245
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 64605109

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 103155845) is 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CC(CN)OC)C1.
What is the InChIKey of 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is OCUQLSMNNGKEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-4-13(12(17)18)5-6-15(9-13)11(16)7-10(8-14)19-2/h10H,3-9,14H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103155845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).