1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid

C13H20N2O6 — CID 115918579

IUPAC1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCOC1CNC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)C1
InChIInChI=1S/C13H20N2O6/c1-21-7-4-10(14-5-7)11(16)15-3-2-8(12(17)18)9(6-15)13(19)20/h7-10,14H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyKLRARFXTESHPMO-UHFFFAOYSA-N
MW300.31 g/mol
LogP-1.00
Rot. Bonds4

About 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid

1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918579) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918579
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCOC1CNC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)C1
InChIInChI=1S/C13H20N2O6/c1-21-7-4-10(14-5-7)11(16)15-3-2-8(12(17)18)9(6-15)13(19)20/h7-10,14H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyKLRARFXTESHPMO-UHFFFAOYSA-N
XLogP-1.00
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxypyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 61214955
(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112703596
(4-methoxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63167377
(4-ethylpiperidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 61213634
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-methoxypyrrolidin-2-yl)methanone
CID 63151335
1-[4-(4-methoxypyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003223
N-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61214062
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 61214799
1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918284
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone
CID 128980849
1-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61213921

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918579) is 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid is COC1CNC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)C1.
What is the InChIKey of 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is KLRARFXTESHPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-21-7-4-10(14-5-7)11(16)15-3-2-8(12(17)18)9(6-15)13(19)20/h7-10,14H,2-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 300.31 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).