1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 79382684

IUPAC1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H24N2O3/c1-4-6-8-14(5-2)13(18)15-9-7-11(10(15)3)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyFTHBFVIZNDMECO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds5

About 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382684) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382684
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H24N2O3/c1-4-6-8-14(5-2)13(18)15-9-7-11(10(15)3)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyFTHBFVIZNDMECO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430130
1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106743882
1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383673
1-decanoyl-2-methylpyrrolidine-3-carboxylic acid
CID 79363466
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133
1-[ethyl(piperidin-4-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382956
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 102865569
2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383054
2-methyl-1-(3-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 114873795
1-[2-methoxyethyl(prop-2-enyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 103339670
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79382684) is 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CCCCN(CC)C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FTHBFVIZNDMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-6-8-14(5-2)13(18)15-9-7-11(10(15)3)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 5 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-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).