1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

C12H20N2O3 — CID 61224670

IUPAC1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O3/c1-9-2-5-14(8-9)12(17)13-6-3-10(4-7-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyASSVVSFVKPJACB-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.24
Rot. Bonds1

About 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 61224670) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID61224670
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O3/c1-9-2-5-14(8-9)12(17)13-6-3-10(4-7-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyASSVVSFVKPJACB-UHFFFAOYSA-N
XLogP1.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (CID 61224670) is 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is CC1CCN(C(=O)N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is ASSVVSFVKPJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-2-5-14(8-9)12(17)13-6-3-10(4-7-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 61224670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).