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

C12H20N2O4 — CID 114284514

IUPAC(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1(C(=O)N2CCC[C@@H]2C(=O)O)CCNCC1
InChIInChI=1S/C12H20N2O4/c1-18-12(4-6-13-7-5-12)11(17)14-8-2-3-9(14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyKYFSGJRRNWIBRD-SECBINFHSA-N
MW256.30 g/mol
LogP-0.17
Rot. Bonds3

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

(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 114284514) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID114284514
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1(C(=O)N2CCC[C@@H]2C(=O)O)CCNCC1
InChIInChI=1S/C12H20N2O4/c1-18-12(4-6-13-7-5-12)11(17)14-8-2-3-9(14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyKYFSGJRRNWIBRD-SECBINFHSA-N
XLogP-0.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
(4-methoxypiperidin-4-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119807354
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128448
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 114284514) is (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is COC1(C(=O)N2CCC[C@@H]2C(=O)O)CCNCC1.
What is the InChIKey of (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KYFSGJRRNWIBRD-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-12(4-6-13-7-5-12)11(17)14-8-2-3-9(14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114284514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).