(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C13H20N2O5 — CID 78923051

IUPAC(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C13H20N2O5/c1-20-12(18)9-4-7-14(8-5-9)13(19)15-6-2-3-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyWFUMXIWLAMFFNH-SNVBAGLBSA-N
MW284.31 g/mol
LogP0.54
Rot. Bonds2

About (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78923051) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78923051
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C13H20N2O5/c1-20-12(18)9-4-7-14(8-5-9)13(19)15-6-2-3-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyWFUMXIWLAMFFNH-SNVBAGLBSA-N
XLogP0.54
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071779
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
1-(4-ethoxypiperidine-1-carbonyl)azepane-2-carboxylic acid
CID 64564479

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 78923051) is (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is COC(=O)C1CCN(C(=O)N2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WFUMXIWLAMFFNH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-20-12(18)9-4-7-14(8-5-9)13(19)15-6-2-3-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).