1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

C13H22N2O4 — CID 106744628

IUPAC1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC(C(=O)O)CC2C)C1
InChIInChI=1S/C13H22N2O4/c1-9-7-10(12(16)17)3-6-15(9)13(18)14-5-4-11(8-14)19-2/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyXQRRRTUZRWTJMG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds2

About 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744628) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106744628
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC(C(=O)O)CC2C)C1
InChIInChI=1S/C13H22N2O4/c1-9-7-10(12(16)17)3-6-15(9)13(18)14-5-4-11(8-14)19-2/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyXQRRRTUZRWTJMG-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744619
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 102783253
1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 102963044

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106744628) is 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is COC1CCN(C(=O)N2CCC(C(=O)O)CC2C)C1.
What is the InChIKey of 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is XQRRRTUZRWTJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-7-10(12(16)17)3-6-15(9)13(18)14-5-4-11(8-14)19-2/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).