(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid

C12H20N2O3 — CID 79034572

IUPAC(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCN1CCC(C(=O)N2CCCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-13-7-5-9(8-13)11(15)14-6-3-2-4-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9?,10-/m1/s1
InChIKeyPXISOOAUMPHCHS-QVDQXJPCSA-N
MW240.30 g/mol
LogP0.40
Rot. Bonds2

About (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034572) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034572
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCN1CCC(C(=O)N2CCCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-13-7-5-9(8-13)11(15)14-6-3-2-4-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9?,10-/m1/s1
InChIKeyPXISOOAUMPHCHS-QVDQXJPCSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 54950139
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid (CID 79034572) is (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid is CN1CCC(C(=O)N2CCCC[C@@H]2C(=O)O)C1.
What is the InChIKey of (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is PXISOOAUMPHCHS-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-7-5-9(8-13)11(15)14-6-3-2-4-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).