2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 104596985

IUPAC2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1(C)CCCCN1
InChIInChI=1S/C13H22N2O3/c1-9-10(11(16)17)5-8-15(9)12(18)13(2)6-3-4-7-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyAPJSENVHPPNDSX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds2

About 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 104596985) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID104596985
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1(C)CCCCN1
InChIInChI=1S/C13H22N2O3/c1-9-10(11(16)17)5-8-15(9)12(18)13(2)6-3-4-7-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyAPJSENVHPPNDSX-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 104596985) is 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C1(C)CCCCN1.
What is the InChIKey of 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is APJSENVHPPNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-10(11(16)17)5-8-15(9)12(18)13(2)6-3-4-7-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104596985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).