3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid

C11H21NO2 — CID 102787447

IUPAC3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
SMILESCCCC(C)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-5-9(3)12-7-6-8(2)10(12)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAPDJURPODVTROO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid

3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 102787447) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID102787447
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
SMILESCCCC(C)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-5-9(3)12-7-6-8(2)10(12)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAPDJURPODVTROO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
CID 89128848
3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 130646219
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780338
1-[1-(1-adamantyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786810
1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068723
1-[1-(4-chlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid (CID 102787447) is 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid is CCCC(C)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is APDJURPODVTROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-9(3)12-7-6-8(2)10(12)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102787447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).