2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid

C12H23NO2 — CID 65071311

IUPAC2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC(C)C(C)N1CCCC1(C)C(=O)O
InChIInChI=1S/C12H23NO2/c1-5-9(2)10(3)13-8-6-7-12(13,4)11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyJILYGLXYARYVGM-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds4

About 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid

2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65071311) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID65071311
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC(C)C(C)N1CCCC1(C)C(=O)O
InChIInChI=1S/C12H23NO2/c1-5-9(2)10(3)13-8-6-7-12(13,4)11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyJILYGLXYARYVGM-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 65071376
2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
CID 104599300
1-heptan-3-yl-2-methylpiperidine-2-carboxylic acid
CID 104599181
2-methyl-1-(6,6,6-trifluorohexan-2-yl)pyrrolidine-2-carboxylic acid
CID 116536226
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071570
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
1-[1-(1-adamantyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071214
1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071128
1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071323
2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
CID 65070819
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
CID 82985562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid (CID 65071311) is 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid is CCC(C)C(C)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is JILYGLXYARYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-9(2)10(3)13-8-6-7-12(13,4)11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).