4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 61180946

IUPAC4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-9-7-10(11(15)16)14(8-9)12(17)13-5-3-2-4-6-13/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyZADTWNYYTCPVJB-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.77
Rot. Bonds2

About 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61180946) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61180946
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-9-7-10(11(15)16)14(8-9)12(17)13-5-3-2-4-6-13/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyZADTWNYYTCPVJB-UHFFFAOYSA-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

1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61191791
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019976
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55030907
1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55149436
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
4-methoxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61159406
1-[(E)-but-2-enoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 24706741
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 61180946) is 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)N2CCCCC2)C1.
What is the InChIKey of 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZADTWNYYTCPVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-9-7-10(11(15)16)14(8-9)12(17)13-5-3-2-4-6-13/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(piperidine-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 4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61180946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).