1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 106978366

IUPAC1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NCC1CCCOC1
InChIInChI=1S/C15H26N2O4/c1-2-6-15(13(18)19)7-4-8-17(15)14(20)16-10-12-5-3-9-21-11-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeySKNZDOLBHLSZKH-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978366) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978366
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NCC1CCCOC1
InChIInChI=1S/C15H26N2O4/c1-2-6-15(13(18)19)7-4-8-17(15)14(20)16-10-12-5-3-9-21-11-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeySKNZDOLBHLSZKH-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136471
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587
2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103997094
1-[(5-amino-5-oxopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106238959
1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978629
1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978357
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063989
1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978385

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978366) is 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NCC1CCCOC1.
What is the InChIKey of 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is SKNZDOLBHLSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-6-15(13(18)19)7-4-8-17(15)14(20)16-10-12-5-3-9-21-11-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).