1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 63145817

IUPAC1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C(NC(C)=O)C(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-5-6-15(14(20)21)7-8-17(9-15)13(19)12(10(2)3)16-11(4)18/h10,12H,5-9H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyXZNDJAIPEVZTGT-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds6

About 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63145817) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63145817
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C(NC(C)=O)C(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-5-6-15(14(20)21)7-8-17(9-15)13(19)12(10(2)3)16-11(4)18/h10,12H,5-9H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyXZNDJAIPEVZTGT-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125301
N-[1-(3-cyano-3-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 123834584
1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 64605109
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145413
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
1-but-2-ynoyl-3-propylpyrrolidine-3-carboxylic acid
CID 107986661
1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149265

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63145817) is 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C(NC(C)=O)C(C)C)C1.
What is the InChIKey of 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is XZNDJAIPEVZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-6-15(14(20)21)7-8-17(9-15)13(19)12(10(2)3)16-11(4)18/h10,12H,5-9H2,1-4H3,(H,16,18)(H,20,21).
What are the key properties of 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).