1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 61191791

IUPAC1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CC(OC)CC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-3-14-4-6-15(7-5-14)13(19)16-9-10(20-2)8-11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyHSXJDCMAMGIINK-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.08
Rot. Bonds3

About 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 61191791) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID61191791
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CC(OC)CC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-3-14-4-6-15(7-5-14)13(19)16-9-10(20-2)8-11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyHSXJDCMAMGIINK-UHFFFAOYSA-N
XLogP-0.08
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55030907
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55149436
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
4-methoxy-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114174500
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107569128
4-methoxy-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 61170397
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61424652

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 61191791) is 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is CCN1CCN(C(=O)N2CC(OC)CC2C(=O)O)CC1.
What is the InChIKey of 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is HSXJDCMAMGIINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-14-4-6-15(7-5-14)13(19)16-9-10(20-2)8-11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61191791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).