(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 106588061

IUPAC(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCC1CCCN(C(=O)N2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-19-9-10-4-2-6-14(8-10)13(18)15-7-3-5-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyJLQVFRKECBHKSQ-RRKGBCIJSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds3

About (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 106588061) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID106588061
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCC1CCCN(C(=O)N2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-19-9-10-4-2-6-14(8-10)13(18)15-7-3-5-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyJLQVFRKECBHKSQ-RRKGBCIJSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
CID 106588001
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
(2S)-1-(4-propylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78992815
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102962553
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 115535473

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid (CID 106588061) is (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid is COCC1CCCN(C(=O)N2CCC[C@@H]2C(=O)O)C1.
What is the InChIKey of (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JLQVFRKECBHKSQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-9-10-4-2-6-14(8-10)13(18)15-7-3-5-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106588061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).