1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 83071063

IUPAC1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(CCOC)C1CC1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(17)18)7-4-8-16(14)13(19)15(9-10-20-2)11-5-6-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyPQLXLIFKPSXJRI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.55
Rot. Bonds6

About 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83071063) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83071063
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(CCOC)C1CC1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(17)18)7-4-8-16(14)13(19)15(9-10-20-2)11-5-6-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyPQLXLIFKPSXJRI-UHFFFAOYSA-N
XLogP1.55
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978309
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149603
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124086
N-cyclopropyl-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 115589086
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070979
2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070845

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83071063) is 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)N(CCOC)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is PQLXLIFKPSXJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(12(17)18)7-4-8-16(14)13(19)15(9-10-20-2)11-5-6-11/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).