1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid

C15H28N2O3 — CID 63147482

IUPAC1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NC(C)C(C)CC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-15(13(18)19)8-9-17(10-15)14(20)16-12(4)11(3)6-2/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyQUPIQUINFDKEBQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds6

About 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63147482) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63147482
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NC(C)C(C)CC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-15(13(18)19)8-9-17(10-15)14(20)16-12(4)11(3)6-2/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyQUPIQUINFDKEBQ-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 64605109
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149265
1-(2-acetamido-3-methylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145817
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63958831
1-(but-3-yn-2-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 114418501
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
1-[3-(ethylamino)butanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145413
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
1-but-2-ynoyl-3-propylpyrrolidine-3-carboxylic acid
CID 107986661

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63147482) is 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NC(C)C(C)CC)C1.
What is the InChIKey of 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is QUPIQUINFDKEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-15(13(18)19)8-9-17(10-15)14(20)16-12(4)11(3)6-2/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).