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

C11H21NO2 — CID 65064069

IUPAC3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
SMILESCCC(CC)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-4-9(5-2)12-7-6-11(3,8-12)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyGXJDHOFCGMWFMI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

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

3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 65064069) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
PubChem CID65064069
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
SMILESCCC(CC)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-4-9(5-2)12-7-6-11(3,8-12)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyGXJDHOFCGMWFMI-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

1-(1-cyanopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147887
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 63148161
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 63147851
3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
1-[1-(4-ethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064258
3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65063880
4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 65065296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid (CID 65064069) is 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid is CCC(CC)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is GXJDHOFCGMWFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(5-2)12-7-6-11(3,8-12)10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid?
3-methyl-1-pentan-3-ylpyrrolidine-3-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-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65064069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).