1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 61159247

IUPAC1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-8-6-9(10(15)16)14(7-8)11(17)12(13)4-2-3-5-12/h8-9H,2-7,13H2,1H3,(H,15,16)
InChIKeyFNCUOQOIIBDDJQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.04
Rot. Bonds3

About 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 61159247) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID61159247
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C12H20N2O4/c1-18-8-6-9(10(15)16)14(7-8)11(17)12(13)4-2-3-5-12/h8-9H,2-7,13H2,1H3,(H,15,16)
InChIKeyFNCUOQOIIBDDJQ-UHFFFAOYSA-N
XLogP-0.04
TPSA92.86 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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-aminocyclopentanecarbonyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 61159247) is 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)C2(N)CCCC2)C1.
What is the InChIKey of 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is FNCUOQOIIBDDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-8-6-9(10(15)16)14(7-8)11(17)12(13)4-2-3-5-12/h8-9H,2-7,13H2,1H3,(H,15,16).
What are the key properties of 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentanecarbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61159247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).