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

C11H21NO2 — CID 65071376

IUPAC2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
SMILESCCCC(C)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-6-9(2)12-8-5-7-11(12,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVDPIEZCAUKMIBF-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds4

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

2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 65071376) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID65071376
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
SMILESCCCC(C)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-6-9(2)12-8-5-7-11(12,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVDPIEZCAUKMIBF-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
CID 104599300
2-methyl-1-(6,6,6-trifluorohexan-2-yl)pyrrolidine-2-carboxylic acid
CID 116536226
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
CID 82985562
1-heptan-3-yl-2-methylpiperidine-2-carboxylic acid
CID 104599181
2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
CID 104599033
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
1-[1-(1-adamantyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071214
1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071323
2-methyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 104598665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid (CID 65071376) is 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid is CCCC(C)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is VDPIEZCAUKMIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-9(2)12-8-5-7-11(12,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid?
2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).