1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 106978385

IUPAC1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC1CCCC1OC
InChIInChI=1S/C15H26N2O4/c1-3-8-15(13(18)19)9-5-10-17(15)14(20)16-11-6-4-7-12(11)21-2/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKCXZWGDNQUVLIK-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.98
Rot. Bonds5

About 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978385) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978385
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC1CCCC1OC
InChIInChI=1S/C15H26N2O4/c1-3-8-15(13(18)19)9-5-10-17(15)14(20)16-11-6-4-7-12(11)21-2/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKCXZWGDNQUVLIK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978629
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978485
1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976030
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978385) is 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NC1CCCC1OC.
What is the InChIKey of 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is KCXZWGDNQUVLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-8-15(13(18)19)9-5-10-17(15)14(20)16-11-6-4-7-12(11)21-2/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).