1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

C14H22N2O5 — CID 106743978

IUPAC1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H22N2O5/c1-9-8-10(12(17)18)5-7-15(9)14(20)16-6-3-4-11(16)13(19)21-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyPHQGDOSVKHVZIW-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.93
Rot. Bonds2

About 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106743978) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106743978
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H22N2O5/c1-9-8-10(12(17)18)5-7-15(9)14(20)16-6-3-4-11(16)13(19)21-2/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyPHQGDOSVKHVZIW-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743936
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744619
(2S,4R)-4-hydroxy-1-(2-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 115535190
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535092
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902
1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744628
3-(2-methoxycarbonylpiperidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 115535110
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106743978) is 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is COC(=O)C1CCCN1C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is PHQGDOSVKHVZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-9-8-10(12(17)18)5-7-15(9)14(20)16-6-3-4-11(16)13(19)21-2/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106743978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).