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

C13H24N2O3 — CID 83070903

IUPAC1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCCCN(C)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-9-14(3)12(18)15-10-7-8-13(15,5-2)11(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyKVCCLSIBOWUOLS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds5

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

1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83070903) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83070903
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCCCN(C)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-6-9-14(3)12(18)15-10-7-8-13(15,5-2)11(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKeyKVCCLSIBOWUOLS-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
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
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159
2-ethyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83064847
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978650
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83070903) is 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is CCCCN(C)C(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is KVCCLSIBOWUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-6-9-14(3)12(18)15-10-7-8-13(15,5-2)11(16)17/h4-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).