1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H22N2O5 — CID 115535303

IUPAC1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)C1CCCN(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O5/c1-14(12(18)19)5-7-16(9-14)13(20)15-6-3-4-10(8-15)11(17)21-2/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyDYOHIKYDROFNPH-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.79
Rot. Bonds2

About 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 115535303) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID115535303
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)C1CCCN(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O5/c1-14(12(18)19)5-7-16(9-14)13(20)15-6-3-4-10(8-15)11(17)21-2/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyDYOHIKYDROFNPH-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

methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63147419
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 63135979

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 115535303) is 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is COC(=O)C1CCCN(C(=O)N2CCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DYOHIKYDROFNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-14(12(18)19)5-7-16(9-14)13(20)15-6-3-4-10(8-15)11(17)21-2/h10H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-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-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115535303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).