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

C13H22N2O4 — CID 102962553

IUPAC(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CN(C(=O)N2CCC[C@H]2C(=O)O)CCC1C
InChIInChI=1S/C13H22N2O4/c1-9-5-7-14(8-11(9)19-2)13(18)15-6-3-4-10(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/t9?,10-,11?/m0/s1
InChIKeyWPVMFVJMMXMUTL-YVNMAJEFSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds2

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

(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102962553) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102962553
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CN(C(=O)N2CCC[C@H]2C(=O)O)CCC1C
InChIInChI=1S/C13H22N2O4/c1-9-5-7-14(8-11(9)19-2)13(18)15-6-3-4-10(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/t9?,10-,11?/m0/s1
InChIKeyWPVMFVJMMXMUTL-YVNMAJEFSA-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-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 113402525
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 102962553) is (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is COC1CN(C(=O)N2CCC[C@H]2C(=O)O)CCC1C.
What is the InChIKey of (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WPVMFVJMMXMUTL-YVNMAJEFSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-5-7-14(8-11(9)19-2)13(18)15-6-3-4-10(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-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 (2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102962553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).