1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 102962516

IUPAC1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC1CN(C(=O)N2CCC(C(=O)O)C2C)CCC1C
InChIInChI=1S/C14H24N2O4/c1-9-4-6-15(8-12(9)20-3)14(19)16-7-5-11(10(16)2)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyZUXIFSVRPXKMCJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds2

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

1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 102962516) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID102962516
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC1CN(C(=O)N2CCC(C(=O)O)C2C)CCC1C
InChIInChI=1S/C14H24N2O4/c1-9-4-6-15(8-12(9)20-3)14(19)16-7-5-11(10(16)2)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyZUXIFSVRPXKMCJ-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102962553
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 102956696
2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383557
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102
2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 79377877
2-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383287
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377376
3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 102962502

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 102962516) is 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is COC1CN(C(=O)N2CCC(C(=O)O)C2C)CCC1C.
What is the InChIKey of 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZUXIFSVRPXKMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9-4-6-15(8-12(9)20-3)14(19)16-7-5-11(10(16)2)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102962516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).