1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

C14H26N2O3 — CID 83070979

IUPAC1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-7-10-15(6-3)13(19)16-11-8-9-14(16,5-2)12(17)18/h4-11H2,1-3H3,(H,17,18)
InChIKeyCKYRTDPNUJKWIW-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.56
Rot. Bonds6

About 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83070979) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83070979
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-7-10-15(6-3)13(19)16-11-8-9-14(16,5-2)12(17)18/h4-11H2,1-3H3,(H,17,18)
InChIKeyCKYRTDPNUJKWIW-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
2-ethyl-1-[ethyl(prop-2-ynyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070179
2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83063850
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978175
2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070845
2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83060774

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83070979) is 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is CCCCN(CC)C(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is CKYRTDPNUJKWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-10-15(6-3)13(19)16-11-8-9-14(16,5-2)12(17)18/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).