1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

C15H28N2O3 — CID 106978225

IUPAC1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC(C)CC(C)C
InChIInChI=1S/C15H28N2O3/c1-5-7-15(13(18)19)8-6-9-17(15)14(20)16-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyCVWZIYYRIIJMTM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

About 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978225) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978225
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC(C)CC(C)C
InChIInChI=1S/C15H28N2O3/c1-5-7-15(13(18)19)8-6-9-17(15)14(20)16-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyCVWZIYYRIIJMTM-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978479
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587
1-(3-methylsulfanylbutylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978589
1-[3-(aminomethyl)-5-methylhexanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976053
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978225) is 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NC(C)CC(C)C.
What is the InChIKey of 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is CVWZIYYRIIJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-15(13(18)19)8-6-9-17(15)14(20)16-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).