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

C12H20N2O4 — CID 78922853

IUPAC(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-18-9-4-7-13(8-5-9)12(17)14-6-2-3-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyLLVLHLNYSDPSRR-SNVBAGLBSA-N
MW256.30 g/mol
LogP0.77
Rot. Bonds2

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

(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922853) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78922853
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-18-9-4-7-13(8-5-9)12(17)14-6-2-3-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyLLVLHLNYSDPSRR-SNVBAGLBSA-N
XLogP0.77
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102962553
1-(4-ethoxypiperidine-1-carbonyl)azepane-2-carboxylic acid
CID 64564479
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 78922853) is (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is COC1CCN(C(=O)N2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LLVLHLNYSDPSRR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-9-4-7-13(8-5-9)12(17)14-6-2-3-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).