4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 61206593

IUPAC4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCC2CCN(C)C2)C1
InChIInChI=1S/C13H23N3O4/c1-15-4-3-9(7-15)6-14-13(19)16-8-10(20-2)5-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKBISOJHIHUADMR-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.18
Rot. Bonds4

About 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61206593) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61206593
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCC2CCN(C)C2)C1
InChIInChI=1S/C13H23N3O4/c1-15-4-3-9(7-15)6-14-13(19)16-8-10(20-2)5-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKBISOJHIHUADMR-UHFFFAOYSA-N
XLogP-0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 61206593) is 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NCC2CCN(C)C2)C1.
What is the InChIKey of 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KBISOJHIHUADMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-15-4-3-9(7-15)6-14-13(19)16-8-10(20-2)5-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61206593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).