3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid

C14H26N2O3 — CID 106330455

IUPAC3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-13(4,6-2)15-12(19)16-9-8-14(7-3,10-16)11(17)18/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLDDKAMRREVFPBS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 106330455) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID106330455
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-13(4,6-2)15-12(19)16-9-8-14(7-3,10-16)11(17)18/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLDDKAMRREVFPBS-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 55177965
1-[(2-ethoxy-2-methylpropyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 114943511
3-ethyl-1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79559362
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 106279301
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79350941
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79359494
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107472114
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 106330455) is 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid is CCC(C)(CC)NC(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LDDKAMRREVFPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-13(4,6-2)15-12(19)16-9-8-14(7-3,10-16)11(17)18/h5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106330455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).