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

C12H20N2O4 — CID 103357299

IUPAC1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(O)CCN(C(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O4/c1-12(18)4-7-14(8-12)11(17)13-5-2-9(3-6-13)10(15)16/h9,18H,2-8H2,1H3,(H,15,16)
InChIKeyLXUXZJRYZITNSZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.36
Rot. Bonds1

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

1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 103357299) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID103357299
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(O)CCN(C(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O4/c1-12(18)4-7-14(8-12)11(17)13-5-2-9(3-6-13)10(15)16/h9,18H,2-8H2,1H3,(H,15,16)
InChIKeyLXUXZJRYZITNSZ-UHFFFAOYSA-N
XLogP0.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (CID 103357299) is 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is CC1(O)CCN(C(=O)N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is LXUXZJRYZITNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(18)4-7-14(8-12)11(17)13-5-2-9(3-6-13)10(15)16/h9,18H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 103357299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).