1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid

C14H22N2O5 — CID 107071779

IUPAC1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C14H22N2O5/c1-9-4-3-6-16(11(9)12(17)18)14(20)15-7-5-10(8-15)13(19)21-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyVEERKTVEFLJICC-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.79
Rot. Bonds2

About 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid

1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071779) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107071779
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C14H22N2O5/c1-9-4-3-6-16(11(9)12(17)18)14(20)15-7-5-10(8-15)13(19)21-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyVEERKTVEFLJICC-UHFFFAOYSA-N
XLogP0.79
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071356
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
CID 79162947
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071765

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid (CID 107071779) is 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid is COC(=O)C1CCN(C(=O)N2CCCC(C)C2C(=O)O)C1.
What is the InChIKey of 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is VEERKTVEFLJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-9-4-3-6-16(11(9)12(17)18)14(20)15-7-5-10(8-15)13(19)21-2/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).